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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinazolin-4-one Traditional Name: 2-[(2-keto-3,3-dimethyl-butyl)thio]-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-4-one Formula: C25H26N4O3S MolecularWeight: 462.56394

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O3S/c1-16-21(23(32)29(27(16)5)17-11-7-6-8-12-17)28-22(31)18-13-9-10-14-19(18)26-24(28)33-15-20(30)25(2,3)4/h6-14H,15H2,1-5H3