2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one CAS Name: 2-[(4-chlorophenyl)methylthio]-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-quinazolinone IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]quinazolin-4-one Traditional Name: 2-[(4-chlorobenzyl)thio]-3-homoveratryl-quinazolin-4-one Formula: C25H23ClN2O3S MolecularWeight: 466.97972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=C2SCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C25H23ClN2O3S/c1-30-22-12-9-17(15-23(22)31-2)13-14-28-24(29)20-5-3-4-6-21(20)27-25(28)32-16-18-7-10-19(26)11-8-18/h3-12,15H,13-14,16H2,1-2H3