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

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(p-tolyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(4-methylphenyl)-5-(1-pyrrolidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[[4-(4-methylphenyl)-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[4-(p-tolyl)-5-pyrrolidino-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H29N5OS MolecularWeight: 411.56356

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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)N3CCCC3

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)C)N3CCCC3

InChI

InChI=1S/C22H29N5OS/c1-5-22(6-2,7-3)23-19(28)16-29-21-25-24-20(26-14-8-9-15-26)27(21)18-12-10-17(4)11-13-18/h1,10-13H,6-9,14-16H2,2-4H3,(H,23,28)