[4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl N-(3-methylphenyl)carbamate

Systemtic Name: [4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl N-(3-methylphenyl)carbamate Openeye Name: [4-(4-chlorophenyl)sulfanyl-3-nitro-phenyl]methyl N-(m-tolyl)carbamate CAS Name: N-(3-methylphenyl)carbamic acid [4-[(4-chlorophenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-chlorophenyl)sulfanyl-3-nitrophenyl]methyl N-(3-methylphenyl)carbamate Traditional Name: N-(m-tolyl)carbamic acid [4-[(4-chlorophenyl)thio]-3-nitro-benzyl] ester Formula: C21H17ClN2O4S MolecularWeight: 428.88868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)OCC2=CC(=C(C=C2)SC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H17ClN2O4S/c1-14-3-2-4-17(11-14)23-21(25)28-13-15-5-10-20(19(12-15)24(26)27)29-18-8-6-16(22)7-9-18/h2-12H,13H2,1H3,(H,23,25)