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

Systemtic Name: N-(4-fluorophenyl)-2-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-fluorophenyl)-2-[[4-oxo-3-(1H-1,2,4-triazol-5-yl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-oxo-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-fluorophenyl)-2-[[4-keto-3-(1H-1,2,4-triazol-5-yl)quinazolin-2-yl]thio]acetamide Formula: C18H13FN6O2S MolecularWeight: 396.398223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)C4=NC=NN4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=CC=C(C=C3)F)C4=NC=NN4

InChI

InChI=1S/C18H13FN6O2S/c19-11-5-7-12(8-6-11)22-15(26)9-28-18-23-14-4-2-1-3-13(14)16(27)25(18)17-20-10-21-24-17/h1-8,10H,9H2,(H,22,26)(H,20,21,24)