3-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-ethyl-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[1-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-4-ethyl-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C19H27N5O3S MolecularWeight: 405.51438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC3=CC(=C(C=C3C2)OC)OC)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC3=CC(=C(C=C3C2)OC)OC)CCC(=O)N

InChI

InChI=1S/C19H27N5O3S/c1-4-23-18(6-5-17(20)25)21-24(19(23)28)12-22-8-7-13-9-15(26-2)16(27-3)10-14(13)11-22/h9-10H,4-8,11-12H2,1-3H3,(H2,20,25)