3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(phenacylthio)quinazolin-4-one Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-18-24(26(34)31(29(18)2)20-13-7-4-8-14-20)30-25(33)21-15-9-10-16-22(21)28-27(30)35-17-23(32)19-11-5-3-6-12-19/h3-16H,17H2,1-2H3