N-[(4-methylphenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[(4-methylphenyl)methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-3-nitro-N-(p-tolylmethyl)benzamide CAS Name: N-[(4-methylphenyl)methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[(4-methylphenyl)methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-(4-methylbenzyl)-4-(methylthio)-3-nitro-benzamide Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-11-3-5-12(6-4-11)10-17-16(19)13-7-8-15(22-2)14(9-13)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)