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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H25N5OS MolecularWeight: 419.5425

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=NC=C3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)C3=CC=NC=C3

InChI

InChI=1S/C23H25N5OS/c1-5-23(6-2,7-3)25-20(29)16-30-22-27-26-21(18-12-14-24-15-13-18)28(22)19-10-8-17(4)9-11-19/h1,8-15H,6-7,16H2,2-4H3,(H,25,29)