N-(3-methylphenyl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(3-methylphenyl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: 4-methylsulfanyl-N-(m-tolyl)-3-nitro-benzamide CAS Name: N-(3-methylphenyl)-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-(3-methylphenyl)-4-methylsulfanyl-3-nitrobenzamide Traditional Name: 4-(methylthio)-N-(m-tolyl)-3-nitro-benzamide Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c1-10-4-3-5-12(8-10)16-15(18)11-6-7-14(21-2)13(9-11)17(19)20/h3-9H,1-2H3,(H,16,18)