(E)-2-(4-nitrophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile

Systemtic Name: (E)-2-(4-nitrophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Openeye Name: (E)-2-(4-nitrophenyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)prop-2-enenitrile CAS Name: (E)-2-(4-nitrophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)-2-propenenitrile IUPAC Name: (E)-2-(4-nitrophenyl)-3-(6-nitro-2-sulfanylidene-3H-benzimidazol-1-yl)prop-2-enenitrile Traditional Name: (E)-2-(4-nitrophenyl)-3-(6-nitro-2-thioxo-3H-benzimidazol-1-yl)acrylonitrile Formula: C16H9N5O4S MolecularWeight: 367.33876

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=CN2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)C#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C(=C\N2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=S)/C#N)[N+](=O)[O-]

InChI

InChI=1S/C16H9N5O4S/c17-8-11(10-1-3-12(4-2-10)20(22)23)9-19-15-7-13(21(24)25)5-6-14(15)18-16(19)26/h1-7,9H,(H,18,26)/b11-9-