2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-prop-2-enyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-allyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H20N4O4S MolecularWeight: 364.4194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCC(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(N2CC=C)SCC(=O)N

InChI

InChI=1S/C16H20N4O4S/c1-5-6-20-15(18-19-16(20)25-9-13(17)21)10-7-11(22-2)14(24-4)12(8-10)23-3/h5,7-8H,1,6,9H2,2-4H3,(H2,17,21)