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Chem
J-GLOBAL ID：202107006047493386
Nikkaji number：J3.767.821J N-[α-[5-(3-ニトロ-4-クロロフェニル)-1,3,4-オキサジアゾール-2-イル]-3-ニトロベンジル]ベンゾチアゾール-2-アミン
N-[α-[5-(3-ニトロ-4-クロロフェニル)-1,3,4-オキサジアゾール-2-イル]-3-ニトロベンジル]ベンゾチアゾール-2-アミン
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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： C22H13ClN6O5S
Molecular formula furigana： C22-H13-CL-N6-O5-S
Molecular weight： 508.890
InChI：
InChI=1S/C22H13ClN6O5S/c23-15-9-8-13(11-17(15)29(32)33)20-26-27-21(34-20)19(12-4-3-5-14(10-12)28(30)31)25-22-24-16-6-1-2-7-18(16)35-22/h1-11,19H,(H,24,25)
InChI key：
MEFQKYBKNVFEKP-UHFFFAOYSA-N
SMILES：
c12sc(nc1cccc2)NC(c1cc(ccc1)[N+](=O)[O-])c1oc(nn1)c1cc(c(cc1)Cl)[N+](=O)[O-]
Systematic name (3)： - N-[α-[5-(3-ニトロ-4-クロロフェニル)-1,3,4-オキサジアゾール-2-イル]-3-ニトロベンジル]ベンゾチアゾール-2-アミン
- N-{[5-(4-クロロ-3-ニトロフェニル)-1,3,4-オキサジアゾール-2-イル](3-ニトロフェニル)メチル}-1,3-ベンゾチアゾール-2-アミン
- N-{[5-(4-chloro-3-nitrophenyl)-1,3,4-oxadiazol-2-yl](3-nitrophenyl)methyl}-1,3-benzothiazol-2-amine
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