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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NN=CN1C2=CC(=CC=C2)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NN=CN1C2=CC(=CC=C2)OC

InChI

InChI=1S/C18H22N4O2S/c1-5-18(6-2,7-3)20-16(23)12-25-17-21-19-13-22(17)14-9-8-10-15(11-14)24-4/h1,8-11,13H,6-7,12H2,2-4H3,(H,20,23)