7-chloranyl-3-(3,5-dimethylphenyl)-2-[(phenylmethylsulfanyl)methyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3,5-dimethylphenyl)-2-[(phenylmethylsulfanyl)methyl]quinazolin-4-one Openeye Name: 2-(benzylsulfanylmethyl)-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4-one CAS Name: 7-chloro-3-(3,5-dimethylphenyl)-2-[(phenylmethylthio)methyl]-4-quinazolinone IUPAC Name: 2-(benzylsulfanylmethyl)-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4-one Traditional Name: 2-[(benzylthio)methyl]-7-chloro-3-(3,5-dimethylphenyl)quinazolin-4-one Formula: C24H21ClN2OS MolecularWeight: 420.95434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)CSCC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NC3=C(C2=O)C=CC(=C3)Cl)CSCC4=CC=CC=C4)C

InChI

InChI=1S/C24H21ClN2OS/c1-16-10-17(2)12-20(11-16)27-23(15-29-14-18-6-4-3-5-7-18)26-22-13-19(25)8-9-21(22)24(27)28/h3-13H,14-15H2,1-2H3