N-[4-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[2-(2-chlorophenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[2-(2-chlorophenyl)-2-oxo-ethyl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[2-(2-chlorophenyl)-2-oxoethyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[2-(2-chlorophenyl)-2-keto-ethyl]thio]phenyl]-3-nitro-benzamide Formula: C21H15ClN2O4S MolecularWeight: 426.8728

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H15ClN2O4S/c22-19-7-2-1-6-18(19)20(25)13-29-17-10-8-15(9-11-17)23-21(26)14-4-3-5-16(12-14)24(27)28/h1-12H,13H2,(H,23,26)