N-(3-ethylpent-1-yn-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-ethylpent-1-yn-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1,1-diethylprop-2-ynyl)acetamide CAS Name: N-(3-ethylpent-1-yn-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-ethylpent-1-yn-3-yl)-2-[[5-(2-methoxyphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1,1-diethylprop-2-ynyl)acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C#C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2OC

Isomeric SMILES

CCC(CC)(C#C)NC(=O)CSC1=NN=C(N1CC=C)C2=CC=CC=C2OC

InChI

InChI=1S/C21H26N4O2S/c1-6-14-25-19(16-12-10-11-13-17(16)27-5)23-24-20(25)28-15-18(26)22-21(7-2,8-3)9-4/h2,6,10-13H,1,8-9,14-15H2,3-5H3,(H,22,26)