N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(3,5-dimethylphenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(3,5-dimethylphenyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(3,5-dimethylphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(3,5-dimethylphenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C22H20N2O3S MolecularWeight: 392.4708

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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(=CC(=C3)C)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O3S/c1-14-4-7-19(8-5-14)28-21-9-6-17(13-20(21)24(26)27)22(25)23-18-11-15(2)10-16(3)12-18/h4-13H,1-3H3,(H,23,25)