Chem
J-GLOBAL ID：200907009154702811
Nikkaji number：J927.770F
2-[[3-Ethyl-4-oxo-5-[3-methylbenzothiazol-2(3H)-ylidene]thiazolidin-2-ylidene]methyl]-3-ethylbenzoxazol-3-ium
2-[[3-エチル-4-オキソ-5-[3-メチルベンゾチアゾール-2(3H)-イリデン]チアゾリジン-2-イリデン]メチル]-3-エチルベンゾオキサゾール-3-イウム
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C23H22N2[N+]O2S2
Molecular formula furigana： C23-H22-N3-O2-S2
Molecular weight： 436.570
InChI：
InChI=1S/C23H22N3O2S2/c1-4-25-15-10-6-8-12-17(15)28-19(25)14-20-26(5-2)22(27)21(30-20)23-24(3)16-11-7-9-13-18(16)29-23/h6-14H,4-5H2,1-3H3/q+1
InChI key：
CFBPIPJADXXVRO-UHFFFAOYSA-N
SMILES：
CCn1c(=Cc2oc3ccccc3[n+]2CC)sc(=c2sc3ccccc3n2C)c1=O
Systematic name (3)：
- 2-[[3-エチル-4-オキソ-5-[3-メチルベンゾチアゾール-2(3H)-イリデン]チアゾリジン-2-イリデン]メチル]-3-エチルベンゾオキサゾール-3-イウム
- 3-エチル-2-{[3-エチル-5-(3-メチル-2,3-ジヒドロ-1,3-ベンゾチアゾール-2-イリデン)-4-オキソ-1,3-チアゾリジン-2-イリデン]メチル}-1,3-ベンゾオキサゾール-3-イウム
- 3-ethyl-2-{[3-ethyl-5-(3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]methyl}-1,3-benzoxazol-3-ium
- 2-[[3-Ethyl-4-oxo-5-[3-methylbenzothiazol-2(3H)-ylidene]thiazolidin-2-ylidene]methyl]-3-ethylbenzoxazol-3-ium
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