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

Systemtic Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C27H31N5O2S MolecularWeight: 489.63234

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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)N3CCC(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C(=N2)C)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C)C

InChI

InChI=1S/C27H31N5O2S/c1-17(2)14-15-31-26(34)22-8-6-7-9-23(22)28-27(31)35-16-24(33)29-25-19(4)30-32(20(25)5)21-12-10-18(3)11-13-21/h6-13,17H,14-16H2,1-5H3,(H,29,33)