N-(3-methylpent-1-yn-3-yl)-2-pyridin-2-yl-ethanethioamide

Systemtic Name: N-(3-methylpent-1-yn-3-yl)-2-pyridin-2-yl-ethanethioamide Openeye Name: N-(1-ethyl-1-methyl-prop-2-ynyl)-2-(2-pyridyl)thioacetamide CAS Name: N-(3-methylpent-1-yn-3-yl)-2-(2-pyridinyl)ethanethioamide IUPAC Name: N-(3-methylpent-1-yn-3-yl)-2-pyridin-2-ylethanethioamide Traditional Name: N-(1-ethyl-1-methyl-prop-2-ynyl)-2-(2-pyridyl)thioacetamide Formula: C13H16N2S MolecularWeight: 232.34454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C#C)NC(=S)CC1=CC=CC=N1

Isomeric SMILES

CCC(C)(C#C)NC(=S)CC1=CC=CC=N1

InChI

InChI=1S/C13H16N2S/c1-4-13(3,5-2)15-12(16)10-11-8-6-7-9-14-11/h1,6-9H,5,10H2,2-3H3,(H,15,16)