4-(4-methylphenyl)sulfanyl-3-nitro-N-propan-2-yl-benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-propan-2-yl-benzamide Openeye Name: N-isopropyl-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-propan-2-ylbenzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-propan-2-ylbenzamide Traditional Name: N-isopropyl-3-nitro-4-(p-tolylthio)benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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