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

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(quinazolin-4-ylthio)acetamide Formula: C22H21N5OS MolecularWeight: 403.50004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H21N5OS/c1-14-8-10-17(11-9-14)27-16(3)21(15(2)26-27)25-20(28)12-29-22-18-6-4-5-7-19(18)23-13-24-22/h4-11,13H,12H2,1-3H3,(H,25,28)