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

Systemtic Name: N-prop-2-ynyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-prop-2-ynyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-prop-2-ynyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-prop-2-ynyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-propargyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

Isomeric SMILES

C#CCNC(=O)CSC1=NNC(=N1)C2=CC=NC=C2

InChI

InChI=1S/C12H11N5OS/c1-2-5-14-10(18)8-19-12-15-11(16-17-12)9-3-6-13-7-4-9/h1,3-4,6-7H,5,8H2,(H,14,18)(H,15,16,17)