2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C18H22N4O2S MolecularWeight: 358.45788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC(=O)NCC#C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC(=O)NCC#C)C2=CC=C(C=C2)OC

InChI

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