N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide

Systemtic Name: N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-3-nitro-benzamide Openeye Name: N-(4-methoxyphenyl)-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: N-(4-methoxyphenyl)-4-[(4-methylphenyl)thio]-3-nitrobenzamide IUPAC Name: N-(4-methoxyphenyl)-4-(4-methylphenyl)sulfanyl-3-nitrobenzamide Traditional Name: N-(4-methoxyphenyl)-3-nitro-4-(p-tolylthio)benzamide Formula: C21H18N2O4S MolecularWeight: 394.44362

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S/c1-14-3-10-18(11-4-14)28-20-12-5-15(13-19(20)23(25)26)21(24)22-16-6-8-17(27-2)9-7-16/h3-13H,1-2H3,(H,22,24)