2-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[5-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-26-19(13-20(28)23-18-9-3-2-4-10-18)24-25-22(26)30-15-21(29)27-12-11-16-7-5-6-8-17(16)14-27/h2-10H,11-15H2,1H3,(H,23,28)