2-(4-methylphenyl)sulfonyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile

Systemtic Name: 2-(4-methylphenyl)sulfonyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Openeye Name: 3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 2-(4-methylphenyl)sulfonyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenenitrile IUPAC Name: 2-(4-methylphenyl)sulfonyl-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Traditional Name: 3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)-2-tosyl-acrylonitrile Formula: C17H12N4O4S2 MolecularWeight: 400.43158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C#N

InChI

InChI=1S/C17H12N4O4S2/c1-11-2-5-13(6-3-11)27(24,25)14(9-18)10-20-16-8-12(21(22)23)4-7-15(16)19-17(20)26/h2-8,10H,1H3,(H,19,26)