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

Systemtic Name: 3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-2-(3-oxidanylidenebutylsulfanyl)quinazolin-4-one Openeye Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3-oxobutylsulfanyl)quinazolin-4-one CAS Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxobutylthio)-4-quinazolinone IUPAC Name: 3-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-oxobutylsulfanyl)quinazolin-4-one Traditional Name: 3-(4-chloro-2-methoxy-5-methyl-phenyl)-2-(3-ketobutylthio)quinazolin-4-one Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCCC(=O)C

InChI

InChI=1S/C20H19ClN2O3S/c1-12-10-17(18(26-3)11-15(12)21)23-19(25)14-6-4-5-7-16(14)22-20(23)27-9-8-13(2)24/h4-7,10-11H,8-9H2,1-3H3