1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4O3S/c1-4-27-22(16-8-6-5-7-9-16)24-25-23(27)31-15-21(28)26-11-10-17-12-19(29-2)20(30-3)13-18(17)14-26/h5-9,12-13H,4,10-11,14-15H2,1-3H3