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

Systemtic Name: 2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]-3-propyl-quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-2-13-25-21(28)17-10-6-7-11-19(17)23-22(25)29-15-20(27)26-14-12-18(24-26)16-8-4-3-5-9-16/h3-11H,2,12-15H2,1H3