1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol

Systemtic Name: 1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[[(5-methyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SCC2C3=CC(=C(C=C3CCN2)O)O

Isomeric SMILES

CC1=NC(=NN1)SCC2C3=CC(=C(C=C3CCN2)O)O

InChI

InChI=1S/C13H16N4O2S/c1-7-15-13(17-16-7)20-6-10-9-5-12(19)11(18)4-8(9)2-3-14-10/h4-5,10,14,18-19H,2-3,6H2,1H3,(H,15,16,17)