Chem
J-GLOBAL ID:200907055942397843
Nikkaji number:J2.001.833J
1-Methyl-4-[[6-(benzothiazole-2-yl)-3-methylbenzothiazole-2(3H)-ylidene]methyl]quinolinium
1-メチル-4-[[6-(ベンゾチアゾール-2-イル)-3-メチルベンゾチアゾール-2(3H)-イリデン]メチル]キノリニウム
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Substance type:
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
Molecular formula:
C26 H20 N2 [N+]S2
Molecular formula furigana:
C26-H20-N3-S2
Molecular weight:
438.590
InChI:
InChI=1S/C26H20N3S2/c1-28-14-13-17(19-7-3-5-9-21(19)28)16-25-29(2)22-12-11-18(15-24(22)30-25)26-27-20-8-4-6-10-23(20)31-26/h3-16H,1-2H3/q+1
InChI key:
ICWODGMYUKYVIT-UHFFFAOYSA-N
SMILES:
Cn1c(=Cc2cc[n+](C)c3ccccc23)sc2cc(ccc12)c1nc2ccccc2s1
Systematic name (3):
1-メチル-4-[[6-(ベンゾチアゾール-2-イル)-3-メチルベンゾチアゾール-2(3H)-イリデン]メチル]キノリニウム
4-{[6-(1,3-ベンゾチアゾール-2-イル)-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]メチル}-1-メチルキノリン-1-イウム
4-{[6-(1,3-benzothiazol-2-yl)-3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}-1-methylquinolin-1-ium
Other name (1):
1-Methyl-4-[[6-(benzothiazole-2-yl)-3-methylbenzothiazole-2(3H)-ylidene]methyl]quinolinium
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