4-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4-cyanoanilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4-cyanoanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4-cyanoanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4-cyanoanilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C16H12N4O4S/c17-8-10-1-4-12(5-2-10)19-15(21)9-25-14-6-3-11(16(18)22)7-13(14)20(23)24/h1-7H,9H2,(H2,18,22)(H,19,21)