methyl 4-oxidanylidene-3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenyl-2-[[4-(1-pyrazolyl)phenyl]methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenyl-2-[(4-pyrazol-1-ylphenyl)methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 4-keto-3-phenyl-2-[(4-pyrazol-1-ylbenzyl)thio]quinazoline-7-carboxylic acid methyl ester Formula: C26H20N4O3S MolecularWeight: 468.527

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)N4C=CC=N4)C5=CC=CC=C5

InChI

InChI=1S/C26H20N4O3S/c1-33-25(32)19-10-13-22-23(16-19)28-26(30(24(22)31)21-6-3-2-4-7-21)34-17-18-8-11-20(12-9-18)29-15-5-14-27-29/h2-16H,17H2,1H3