N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H19N5O2S MolecularWeight: 405.47286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H19N5O2S/c1-14-19(21(28)26(25(14)2)15-8-4-3-5-9-15)24-18(27)12-29-20-16-10-6-7-11-17(16)22-13-23-20/h3-11,13H,12H2,1-2H3,(H,24,27)