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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-propargyl-acetamide Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC#C)CC2=CC=CC=C2

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC#C)CC2=CC=CC=C2

InChI

InChI=1S/C16H18N4OS/c1-3-10-17-15(21)12-22-16-19-18-14(20(16)4-2)11-13-8-6-5-7-9-13/h1,5-9H,4,10-12H2,2H3,(H,17,21)