2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2,5-dimethylphenyl)quinazolin-4-one

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-(2,5-dimethylphenyl)quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-(2,5-dimethylphenyl)quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-(2,5-dimethylphenyl)-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-(2,5-dimethylphenyl)quinazolin-4-one Traditional Name: 3-(2,5-dimethylphenyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C22H24N2O2S/c1-14-10-11-15(2)18(12-14)24-20(26)16-8-6-7-9-17(16)23-21(24)27-13-19(25)22(3,4)5/h6-12H,13H2,1-5H3