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

Systemtic Name: [4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methyl N-(3,4-dichlorophenyl)carbamate Openeye Name: [3-nitro-4-(p-tolylsulfanyl)phenyl]methyl N-(3,4-dichlorophenyl)carbamate CAS Name: N-(3,4-dichlorophenyl)carbamic acid [4-[(4-methylphenyl)thio]-3-nitrophenyl]methyl ester IUPAC Name: [4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methyl N-(3,4-dichlorophenyl)carbamate Traditional Name: N-(3,4-dichlorophenyl)carbamic acid [3-nitro-4-(p-tolylthio)benzyl] ester Formula: C21H16Cl2N2O4S MolecularWeight: 463.33374

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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)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)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H16Cl2N2O4S/c1-13-2-6-16(7-3-13)30-20-9-4-14(10-19(20)25(27)28)12-29-21(26)24-15-5-8-17(22)18(23)11-15/h2-11H,12H2,1H3,(H,24,26)