2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(3-ethylpent-1-yn-3-yl)ethanamide

Systemtic Name: 2-[[1-(2,6-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(3-ethylpent-1-yn-3-yl)ethanamide Openeye Name: N-(1,1-diethylprop-2-ynyl)-2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: 2-[[1-(2,6-dimethylphenyl)-5-tetrazolyl]thio]-N-(3-ethylpent-1-yn-3-yl)acetamide IUPAC Name: 2-[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-(3-ethylpent-1-yn-3-yl)acetamide Traditional Name: N-(1,1-diethylprop-2-ynyl)-2-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]thio]acetamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NN=NN1C2=C(C=CC=C2C)C

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NN=NN1C2=C(C=CC=C2C)C

InChI

InChI=1S/C18H23N5OS/c1-6-18(7-2,8-3)19-15(24)12-25-17-20-21-22-23(17)16-13(4)10-9-11-14(16)5/h1,9-11H,7-8,12H2,2-5H3,(H,19,24)