N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(2-quinolylthio)acetamide Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC4=CC=CC=C4C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC4=CC=CC=C4C=C3)C

InChI

InChI=1S/C23H22N4OS/c1-15-8-11-19(12-9-15)27-17(3)23(16(2)26-27)25-21(28)14-29-22-13-10-18-6-4-5-7-20(18)24-22/h4-13H,14H2,1-3H3,(H,25,28)