2-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one

Systemtic Name: 2-[2-(3-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Openeye Name: 2-[2-(3-fluorophenyl)-2-oxo-ethyl]sulfanyl-3-isopentyl-quinazolin-4-one CAS Name: 2-[[2-(3-fluorophenyl)-2-oxoethyl]thio]-3-(3-methylbutyl)-4-quinazolinone IUPAC Name: 2-[2-(3-fluorophenyl)-2-oxoethyl]sulfanyl-3-(3-methylbutyl)quinazolin-4-one Traditional Name: 2-[[2-(3-fluorophenyl)-2-keto-ethyl]thio]-3-isoamyl-quinazolin-4-one Formula: C21H21FN2O2S MolecularWeight: 384.467043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=CC=C3)F

Isomeric SMILES

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC(=CC=C3)F

InChI

InChI=1S/C21H21FN2O2S/c1-14(2)10-11-24-20(26)17-8-3-4-9-18(17)23-21(24)27-13-19(25)15-6-5-7-16(22)12-15/h3-9,12,14H,10-11,13H2,1-2H3