2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C27H23N5O2S MolecularWeight: 481.56882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2S/c1-19-11-13-22(14-12-19)32-26(34)23-9-5-6-10-24(23)30-27(32)35-18-25(33)28-15-20-16-29-31(17-20)21-7-3-2-4-8-21/h2-14,16-17H,15,18H2,1H3,(H,28,33)