2-(3-chlorophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile

Systemtic Name: 2-(3-chlorophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Openeye Name: 2-(3-chlorophenyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)prop-2-enenitrile CAS Name: 2-(3-chlorophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenenitrile IUPAC Name: 2-(3-chlorophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Traditional Name: 2-(3-chlorophenyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylonitrile Formula: C16H9ClN4O2S MolecularWeight: 356.78626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN4O2S/c17-12-3-1-2-10(6-12)11(8-18)9-20-15-7-13(21(22)23)4-5-14(15)19-16(20)24/h1-7,9H,(H,19,24)