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

Systemtic Name: 2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-nitro-benzamide Openeye Name: 2-methyl-N-[2-(m-tolylmethylsulfanyl)ethyl]-3-nitro-benzamide CAS Name: 2-methyl-N-[2-[(3-methylphenyl)methylthio]ethyl]-3-nitrobenzamide IUPAC Name: 2-methyl-N-[2-[(3-methylphenyl)methylsulfanyl]ethyl]-3-nitrobenzamide Traditional Name: 2-methyl-N-[2-[(3-methylbenzyl)thio]ethyl]-3-nitro-benzamide Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-13-5-3-6-15(11-13)12-24-10-9-19-18(21)16-7-4-8-17(14(16)2)20(22)23/h3-8,11H,9-10,12H2,1-2H3,(H,19,21)