2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-(4-fluorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-allyl-5-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C16H15FN4OS MolecularWeight: 330.379903

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC#C)C2=CC=C(C=C2)F

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC#C)C2=CC=C(C=C2)F

InChI

InChI=1S/C16H15FN4OS/c1-3-9-18-14(22)11-23-16-20-19-15(21(16)10-4-2)12-5-7-13(17)8-6-12/h1,4-8H,2,9-11H2,(H,18,22)