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

Systemtic Name: 7-chloranyl-2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-7-chloro-2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 7-chloro-2-[2-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-7-chloro-2-[[2-keto-2-[5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thio]quinazolin-4-one Formula: C29H25ClN4O3S MolecularWeight: 545.0518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CC=C)C5=CC=CC=C5

InChI

InChI=1S/C29H25ClN4O3S/c1-3-15-33-28(36)23-14-11-21(30)16-25(23)31-29(33)38-18-27(35)34-26(20-9-12-22(37-2)13-10-20)17-24(32-34)19-7-5-4-6-8-19/h3-14,16,26H,1,15,17-18H2,2H3