2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]prop-2-enenitrile CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]-2-propenenitrile IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-3-[1-(2-methoxy-4-nitrophenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enenitrile Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-[1-(2-methoxy-4-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]acrylonitrile Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])OC)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])OC)C)C=C(C#N)SC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H18N4O3S2/c1-14-10-16(11-18(13-24)31-23-25-19-6-4-5-7-22(19)32-23)15(2)26(14)20-9-8-17(27(28)29)12-21(20)30-3/h4-12H,1-3H3