6,7-dimethoxy-1,3-dimethyl-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-1,3-dimethyl-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1H-isoquinoline Openeye Name: 6,7-dimethoxy-1,3-dimethyl-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1H-isoquinoline CAS Name: 6,7-dimethoxy-1,3-dimethyl-2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-1,3-dimethyl-2-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-1H-isoquinoline Traditional Name: 6,7-dimethoxy-1,3-dimethyl-2-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-1H-isoquinoline Formula: C16H20N4O2S MolecularWeight: 332.4206

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC(=C(C=C2C=C(N1C3=NC(=NN3)SC)C)OC)OC

Isomeric SMILES

CC1C2=CC(=C(C=C2C=C(N1C3=NC(=NN3)SC)C)OC)OC

InChI

InChI=1S/C16H20N4O2S/c1-9-6-11-7-13(21-3)14(22-4)8-12(11)10(2)20(9)15-17-16(23-5)19-18-15/h6-8,10H,1-5H3,(H,17,18,19)