4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(3-chloro-4-cyano-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)N)[N+](=O)[O-])SCC(=O)NC2=CC(=C(C=C2)C#N)Cl

InChI

InChI=1S/C16H11ClN4O4S/c17-12-6-11(3-1-10(12)7-18)20-15(22)8-26-14-4-2-9(16(19)23)5-13(14)21(24)25/h1-6H,8H2,(H2,19,23)(H,20,22)