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

Systemtic Name: 7-chloranyl-3-(3-methylphenyl)-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one Openeye Name: 7-chloro-3-(m-tolyl)-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-3-(3-methylphenyl)-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylphenyl)-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylquinazolin-4-one Traditional Name: 7-chloro-2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-3-(m-tolyl)quinazolin-4-one Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21ClN4O2S/c1-17-6-5-9-20(14-17)31-25(33)21-11-10-19(27)15-23(21)28-26(31)34-16-24(32)30-13-12-22(29-30)18-7-3-2-4-8-18/h2-11,14-15H,12-13,16H2,1H3