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

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C21H19N5OS/c1-14-20(15(2)26(25-14)16-8-4-3-5-9-16)24-19(27)12-28-21-17-10-6-7-11-18(17)22-13-23-21/h3-11,13H,12H2,1-2H3,(H,24,27)