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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SC4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SC4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6

InChI

InChI=1S/C31H22ClN3O2S/c32-22-15-16-26-24(19-22)27(21-11-5-2-6-12-21)28(29(36)33-26)38-31-34-25-14-8-7-13-23(25)30(37)35(31)18-17-20-9-3-1-4-10-20/h1-16,19H,17-18H2,(H,33,36)