methyl (3R)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[2-(1H-1,2,4-triazol-5-ylthio)acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C15H16N4O3S MolecularWeight: 332.37754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NN3

Isomeric SMILES

COC(=O)[C@H]1CC2=CC=CC=C2CN1C(=O)CSC3=NC=NN3

InChI

InChI=1S/C15H16N4O3S/c1-22-14(21)12-6-10-4-2-3-5-11(10)7-19(12)13(20)8-23-15-16-9-17-18-15/h2-5,9,12H,6-8H2,1H3,(H,16,17,18)/t12-/m1/s1