3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one CAS Name: 3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[(3-methoxyphenyl)methylthio]-4-quinazolinone IUPAC Name: 3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-(m-anisylthio)quinazolin-4-one Formula: C27H24N4O3S MolecularWeight: 484.56946

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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=C3SCC5=CC(=CC=C5)OC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)OC

InChI

InChI=1S/C27H24N4O3S/c1-18-24(26(33)31(29(18)2)20-11-5-4-6-12-20)30-25(32)22-14-7-8-15-23(22)28-27(30)35-17-19-10-9-13-21(16-19)34-3/h4-16H,17H2,1-3H3