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

Systemtic Name: 2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Openeye Name: 2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one CAS Name: 2-[(3,3-dimethyl-2-oxobutyl)thio]-3-[(4-fluorophenyl)methyl]-4-quinazolinone IUPAC Name: 2-(3,3-dimethyl-2-oxobutyl)sulfanyl-3-[(4-fluorophenyl)methyl]quinazolin-4-one Traditional Name: 3-(4-fluorobenzyl)-2-[(2-keto-3,3-dimethyl-butyl)thio]quinazolin-4-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O2S/c1-21(2,3)18(25)13-27-20-23-17-7-5-4-6-16(17)19(26)24(20)12-14-8-10-15(22)11-9-14/h4-11H,12-13H2,1-3H3