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

Systemtic Name: 1-[(4-methyl-1,2,3-triazol-1-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Openeye Name: 1-[(4-methyltriazol-1-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol CAS Name: 1-[[(4-methyl-1-triazolyl)thio]methyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol IUPAC Name: 1-[(4-methyltriazol-1-yl)sulfanylmethyl]-1,2,3,4-tetrahydroisoquinoline-6,7-diol Traditional Name: 1-[[(4-methyltriazol-1-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=CN(N=N1)SCC2C3=CC(=C(C=C3CCN2)O)O

Isomeric SMILES

CC1=CN(N=N1)SCC2C3=CC(=C(C=C3CCN2)O)O

InChI

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