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

Systemtic Name: N-[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]-2-(4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide CAS Name: N-[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]-2-[(4-oxo-3-propan-2-yl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]-2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-[2-phenyl-5-(p-tolyl)pyrazol-3-yl]acetamide Formula: C29H27N5O2S MolecularWeight: 509.62198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)CSC3=NC4=CC=CC=C4C(=O)N3C(C)C)C5=CC=CC=C5

InChI

InChI=1S/C29H27N5O2S/c1-19(2)33-28(36)23-11-7-8-12-24(23)30-29(33)37-18-27(35)31-26-17-25(21-15-13-20(3)14-16-21)32-34(26)22-9-5-4-6-10-22/h4-17,19H,18H2,1-3H3,(H,31,35)