7-chloranyl-2-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[1-(3,4-dimethylphenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(phenylmethyl)quinazolin-4-one Openeye Name: 3-benzyl-7-chloro-2-[2-(3,4-dimethylphenyl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]thio]-3-(phenylmethyl)-4-quinazolinone IUPAC Name: 3-benzyl-7-chloro-2-[1-(3,4-dimethylphenyl)-1-oxopropan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-benzyl-7-chloro-2-[[2-(3,4-dimethylphenyl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C26H23ClN2O2S MolecularWeight: 462.99102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C(C)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CC=C4)C

InChI

InChI=1S/C26H23ClN2O2S/c1-16-9-10-20(13-17(16)2)24(30)18(3)32-26-28-23-14-21(27)11-12-22(23)25(31)29(26)15-19-7-5-4-6-8-19/h4-14,18H,15H2,1-3H3