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

Systemtic Name: 3-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]propanamide Openeye Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]propanamide CAS Name: 3-(4-chloro-3,5-dimethyl-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]propanamide IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]propanamide Traditional Name: 3-(4-chloro-3,5-dimethyl-pyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]propionamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O3S/c1-13-4-6-18(7-5-13)30-19-11-16(10-17(12-19)26(28)29)23-20(27)8-9-25-15(3)21(22)14(2)24-25/h4-7,10-12H,8-9H2,1-3H3,(H,23,27)