4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol

Systemtic Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol Openeye Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]but-2-yn-1-ol CAS Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-butyn-1-ol IUPAC Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]but-2-yn-1-ol Traditional Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]but-2-yn-1-ol Formula: C12H12N4OS MolecularWeight: 260.31488

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#CCO)C2=CC=NC=C2

Isomeric SMILES

CN1C(=NN=C1SCC#CCO)C2=CC=NC=C2

InChI

InChI=1S/C12H12N4OS/c1-16-11(10-4-6-13-7-5-10)14-15-12(16)18-9-3-2-8-17/h4-7,17H,8-9H2,1H3