2-(4-chloranylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]ethanamide

Systemtic Name: 2-(4-chloranylpyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitro-phenyl]ethanamide Openeye Name: 2-(4-chloropyrazol-1-yl)-N-[3-nitro-5-(p-tolylsulfanyl)phenyl]acetamide CAS Name: 2-(4-chloro-1-pyrazolyl)-N-[3-[(4-methylphenyl)thio]-5-nitrophenyl]acetamide IUPAC Name: 2-(4-chloropyrazol-1-yl)-N-[3-(4-methylphenyl)sulfanyl-5-nitrophenyl]acetamide Traditional Name: 2-(4-chloropyrazol-1-yl)-N-[3-nitro-5-(p-tolylthio)phenyl]acetamide Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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)CN3C=C(C=N3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=CC(=CC(=C2)[N+](=O)[O-])NC(=O)CN3C=C(C=N3)Cl

InChI

InChI=1S/C18H15ClN4O3S/c1-12-2-4-16(5-3-12)27-17-7-14(6-15(8-17)23(25)26)21-18(24)11-22-10-13(19)9-20-22/h2-10H,11H2,1H3,(H,21,24)