2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[2,5-dimethyl-1-(2-methyl-5-nitrophenyl)pyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[2,5-dimethyl-1-(2-methyl-5-nitro-phenyl)pyrrol-3-yl]acrylonitrile Formula: C23H18N4O2S2 MolecularWeight: 446.54462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C(C#N)SC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N2C(=CC(=C2C)C=C(C#N)SC3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C23H18N4O2S2/c1-14-8-9-18(27(28)29)12-21(14)26-15(2)10-17(16(26)3)11-19(13-24)30-23-25-20-6-4-5-7-22(20)31-23/h4-12H,1-3H3