3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(phenylmethylsulfanyl)quinazolin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-chloro-2-methoxy-5-methyl-phenyl)quinazolin-4-one CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-(phenylmethylthio)-4-quinazolinone IUPAC Name: 2-benzylsulfanyl-3-(4-chloro-2-methoxy-5-methylphenyl)quinazolin-4-one Traditional Name: 2-(benzylthio)-3-(4-chloro-2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C23H19ClN2O2S MolecularWeight: 422.92716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C23H19ClN2O2S/c1-15-12-20(21(28-2)13-18(15)24)26-22(27)17-10-6-7-11-19(17)25-23(26)29-14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3