(E)-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)-2-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)-2-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-(5-methyl-2-thioxo-3H-benzimidazol-1-yl)-2-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)-2-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)-2-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(5-methyl-2-thioxo-3H-benzimidazol-1-yl)-2-(4-nitrophenyl)acrylonitrile Formula: C17H12N4O2S MolecularWeight: 336.36778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=S)N2)C=C(C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=S)N2)/C=C(/C#N)\C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N4O2S/c1-11-2-7-16-15(8-11)19-17(24)20(16)10-13(9-18)12-3-5-14(6-4-12)21(22)23/h2-8,10H,1H3,(H,19,24)/b13-10-