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

Systemtic Name: 7-chloranyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-propan-2-yl-quinazolin-4-one Openeye Name: 7-chloro-3-isopropyl-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-3-propan-2-yl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-propan-2-ylquinazolin-4-one Traditional Name: 7-chloro-3-isopropyl-2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]quinazolin-4-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H21ClN4O2S/c1-14(2)27-21(29)17-9-8-16(23)12-19(17)24-22(27)30-13-20(28)26-11-10-18(25-26)15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3