N-(3-ethylpent-1-yn-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4OS/c1-4-17(5-2,6-3)19-14(22)12-23-16-18-15(20-21-16)13-10-8-7-9-11-13/h1,7-11H,5-6,12H2,2-3H3,(H,19,22)(H,18,20,21)