N-(4-chloranyl-2-methyl-phenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-chloranyl-2-methyl-phenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(4-chloro-2-methyl-phenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(4-chloro-2-methylphenyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(4-chloro-2-methylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(4-chloro-2-methyl-phenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H17ClN2O3S MolecularWeight: 412.88928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN2O3S/c1-13-3-7-17(8-4-13)28-20-10-5-15(12-19(20)24(26)27)21(25)23-18-9-6-16(22)11-14(18)2/h3-12H,1-2H3,(H,23,25)