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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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