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

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetamide Formula: C28H25N5O2S MolecularWeight: 495.5954

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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(=O)N3C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5)C

InChI

InChI=1S/C28H25N5O2S/c1-18-13-15-22(16-14-18)33-20(3)26(19(2)31-33)30-25(34)17-36-28-29-24-12-8-7-11-23(24)27(35)32(28)21-9-5-4-6-10-21/h4-16H,17H2,1-3H3,(H,30,34)