N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-(3-methylpyrazol-1-yl)propanamide

Systemtic Name: N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]-3-(3-methylpyrazol-1-yl)propanamide Openeye Name: 3-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]-3-(3-methyl-1-pyrazolyl)propanamide IUPAC Name: N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]-3-(3-methylpyrazol-1-yl)propanamide Traditional Name: 3-(3-methylpyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=CC(=N3)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CCN3C=CC(=N3)C

InChI

InChI=1S/C20H20N4O3S/c1-14-3-5-18(6-4-14)28-19-12-16(11-17(13-19)24(26)27)21-20(25)8-10-23-9-7-15(2)22-23/h3-7,9,11-13H,8,10H2,1-2H3,(H,21,25)