2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[(4-methylphenyl)methyl]quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)C(C)(C)C

InChI

InChI=1S/C22H24N2O2S/c1-15-9-11-16(12-10-15)13-24-20(26)17-7-5-6-8-18(17)23-21(24)27-14-19(25)22(2,3)4/h5-12H,13-14H2,1-4H3