6-chloranyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl]thio]quinazolin-4-one Formula: C22H19ClN4O2S MolecularWeight: 438.92986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=CC(=C2)Cl)N=C1SCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H19ClN4O2S/c1-2-11-26-21(29)17-13-16(23)8-9-19(17)24-22(26)30-14-20(28)27-12-10-18(25-27)15-6-4-3-5-7-15/h2-9,13H,1,10-12,14H2