2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-[(6-chloranyl-2-oxidanylidene-4-phenyl-1H-quinolin-3-yl)sulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Openeye Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)thio]-3-(2,4-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-[(6-chloro-2-oxo-4-phenyl-1H-quinolin-3-yl)sulfanyl]-3-(2,4-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(6-chloro-2-keto-4-phenyl-1H-quinolin-3-yl)thio]-3-(2,4-dimethylphenyl)quinazolin-4-one Formula: C31H22ClN3O2S MolecularWeight: 536.04328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6)C

InChI

InChI=1S/C31H22ClN3O2S/c1-18-12-15-26(19(2)16-18)35-30(37)22-10-6-7-11-24(22)34-31(35)38-28-27(20-8-4-3-5-9-20)23-17-21(32)13-14-25(23)33-29(28)36/h3-17H,1-2H3,(H,33,36)