1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]isoquinoline-3-carboxylic acid

Systemtic Name: 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]isoquinoline-3-carboxylic acid Openeye Name: 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]isoquinoline-3-carboxylic acid CAS Name: 1-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-isoquinolinecarboxylic acid IUPAC Name: 1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]isoquinoline-3-carboxylic acid Traditional Name: 1-[(4-methyl-1,2,4-triazol-3-yl)thio]isoquinoline-3-carboxylic acid Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN1C=NN=C1SC2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C13H10N4O2S/c1-17-7-14-16-13(17)20-11-9-5-3-2-4-8(9)6-10(15-11)12(18)19/h2-7H,1H3,(H,18,19)