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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C18H22N4O2S MolecularWeight: 358.45788

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CN1C(=NNC1=S)C2=CC=C(C=C2)OC

InChI

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