3-(3,5-dimethylphenyl)-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3,5-dimethylphenyl)-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3,5-dimethylphenyl)-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3,5-dimethylphenyl)-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3,5-dimethylphenyl)-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3,5-dimethylphenyl)-2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]quinazolin-4-one Formula: C27H24N4O2S MolecularWeight: 468.57006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(=N4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N4CCC(=N4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H24N4O2S/c1-18-14-19(2)16-21(15-18)31-26(33)22-10-6-7-11-24(22)28-27(31)34-17-25(32)30-13-12-23(29-30)20-8-4-3-5-9-20/h3-11,14-16H,12-13,17H2,1-2H3