2-(4-chloranyl-5-methyl-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide

Systemtic Name: 2-(4-chloranyl-5-methyl-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 2-(4-chloro-5-methyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 2-(4-chloro-5-methyl-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 2-(4-chloro-5-methylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 2-(4-chloro-5-methyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C20H19ClN4O3S MolecularWeight: 430.90786

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)C(C)N3C(=C(C=N3)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)C(C)N3C(=C(C=N3)Cl)C

InChI

InChI=1S/C20H19ClN4O3S/c1-12-4-6-17(7-5-12)29-18-9-15(8-16(10-18)25(27)28)23-20(26)14(3)24-13(2)19(21)11-22-24/h4-11,14H,1-3H3,(H,23,26)