2-(3-chloranylprop-2-enylsulfanyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinazolin-4-one

Systemtic Name: 2-(3-chloranylprop-2-enylsulfanyl)-3-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)quinazolin-4-one Openeye Name: 2-(3-chloroallylsulfanyl)-3-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)quinazolin-4-one CAS Name: 2-(3-chloroprop-2-enylthio)-3-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-quinazolinone IUPAC Name: 2-(3-chloroprop-2-enylsulfanyl)-3-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)quinazolin-4-one Traditional Name: 2-(3-chloroallylthio)-3-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)quinazolin-4-one Formula: C22H19ClN4O2S MolecularWeight: 438.92986

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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=C3SCC=CCl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4N=C3SCC=CCl

InChI

InChI=1S/C22H19ClN4O2S/c1-15-19(21(29)27(25(15)2)16-9-4-3-5-10-16)26-20(28)17-11-6-7-12-18(17)24-22(26)30-14-8-13-23/h3-13H,14H2,1-2H3