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

Systemtic Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]-N-propargyl-acetamide Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC#C)CC2=CC=CC=C2

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC#C)CC2=CC=CC=C2

InChI

InChI=1S/C15H16N4OS/c1-3-9-16-14(20)11-21-15-18-17-13(19(15)2)10-12-7-5-4-6-8-12/h1,4-8H,9-11H2,2H3,(H,16,20)