2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-propyl-quinazolin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCCCC(=O)C3=CC=C(C=C3)F

InChI

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