N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: 3-nitro-N-[2-(p-tolylmethylsulfanyl)ethyl]benzamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-3-nitro-benzamide Formula: C17H18N2O3S MolecularWeight: 330.40142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-13-5-7-14(8-6-13)12-23-10-9-18-17(20)15-3-2-4-16(11-15)19(21)22/h2-8,11H,9-10,12H2,1H3,(H,18,20)