N-[4-(cyanomethoxy)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-[4-(cyanomethoxy)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-[4-(cyanomethoxy)phenyl]-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-[4-(cyanomethoxy)phenyl]-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-[4-(cyanomethoxy)phenyl]-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-[4-(cyanomethoxy)phenyl]-3-nitro-4-(p-tolylthio)benzamide Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NC3=CC=C(C=C3)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S/c1-15-2-9-19(10-3-15)30-21-11-4-16(14-20(21)25(27)28)22(26)24-17-5-7-18(8-6-17)29-13-12-23/h2-11,14H,13H2,1H3,(H,24,26)