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

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-propyl-benzamide Openeye Name: 3-nitro-N-propyl-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-propylbenzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-propylbenzamide Traditional Name: 3-nitro-N-propyl-4-(p-tolylthio)benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-3-10-18-17(20)13-6-9-16(15(11-13)19(21)22)23-14-7-4-12(2)5-8-14/h4-9,11H,3,10H2,1-2H3,(H,18,20)