2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one

Systemtic Name: 2-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Openeye Name: 2-[4-(4-fluorophenyl)-4-oxo-butyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one CAS Name: 2-[[4-(4-fluorophenyl)-4-oxobutyl]thio]-3-(1H-1,2,4-triazol-5-yl)-4-quinazolinone IUPAC Name: 2-[4-(4-fluorophenyl)-4-oxobutyl]sulfanyl-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Traditional Name: 2-[[4-(4-fluorophenyl)-4-keto-butyl]thio]-3-(1H-1,2,4-triazol-5-yl)quinazolin-4-one Formula: C20H16FN5O2S MolecularWeight: 409.436743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=C(C=C3)F)C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCCCC(=O)C3=CC=C(C=C3)F)C4=NC=NN4

InChI

InChI=1S/C20H16FN5O2S/c21-14-9-7-13(8-10-14)17(27)6-3-11-29-20-24-16-5-2-1-4-15(16)18(28)26(20)19-22-12-23-25-19/h1-2,4-5,7-10,12H,3,6,11H2,(H,22,23,25)