2-(4-methylphenyl)sulfanyl-5-nitro-N-(phenylmethyl)benzamide

Systemtic Name: 2-(4-methylphenyl)sulfanyl-5-nitro-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-5-nitro-2-(p-tolylsulfanyl)benzamide CAS Name: 2-[(4-methylphenyl)thio]-5-nitro-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-(4-methylphenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-benzyl-5-nitro-2-(p-tolylthio)benzamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H18N2O3S/c1-15-7-10-18(11-8-15)27-20-12-9-17(23(25)26)13-19(20)21(24)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,22,24)