(E)-3-(1H-benzimidazol-2-ylsulfanyl)-3-(4-nitrophenyl)prop-2-enenitrile

Systemtic Name: (E)-3-(1H-benzimidazol-2-ylsulfanyl)-3-(4-nitrophenyl)prop-2-enenitrile Openeye Name: (E)-3-(1H-benzimidazol-2-ylsulfanyl)-3-(4-nitrophenyl)prop-2-enenitrile CAS Name: (E)-3-(1H-benzimidazol-2-ylthio)-3-(4-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-3-(1H-benzimidazol-2-ylsulfanyl)-3-(4-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-3-(1H-benzimidazol-2-ylthio)-3-(4-nitrophenyl)acrylonitrile Formula: C16H10N4O2S MolecularWeight: 322.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=CC#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)S/C(=C/C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N4O2S/c17-10-9-15(11-5-7-12(8-6-11)20(21)22)23-16-18-13-3-1-2-4-14(13)19-16/h1-9H,(H,18,19)/b15-9+