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

Systemtic Name: N-[4-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-nitro-benzamide Openeye Name: 4-nitro-N-[4-[2-oxo-2-(p-tolyl)ethyl]sulfanylphenyl]benzamide CAS Name: N-[4-[[2-(4-methylphenyl)-2-oxoethyl]thio]phenyl]-4-nitrobenzamide IUPAC Name: N-[4-[2-(4-methylphenyl)-2-oxoethyl]sulfanylphenyl]-4-nitrobenzamide Traditional Name: N-[4-[[2-keto-2-(p-tolyl)ethyl]thio]phenyl]-4-nitro-benzamide Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O4S/c1-15-2-4-16(5-3-15)21(25)14-29-20-12-8-18(9-13-20)23-22(26)17-6-10-19(11-7-17)24(27)28/h2-13H,14H2,1H3,(H,23,26)