1-(1,3,4-thiadiazol-2-ylsulfanyl)isoquinoline-3-carboxylic acid

Systemtic Name: 1-(1,3,4-thiadiazol-2-ylsulfanyl)isoquinoline-3-carboxylic acid Openeye Name: 1-(1,3,4-thiadiazol-2-ylsulfanyl)isoquinoline-3-carboxylic acid CAS Name: 1-(1,3,4-thiadiazol-2-ylthio)-3-isoquinolinecarboxylic acid IUPAC Name: 1-(1,3,4-thiadiazol-2-ylsulfanyl)isoquinoline-3-carboxylic acid Traditional Name: 1-(1,3,4-thiadiazol-2-ylthio)isoquinoline-3-carboxylic acid Formula: C12H7N3O2S2 MolecularWeight: 289.33288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(N=C2SC3=NN=CS3)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(N=C2SC3=NN=CS3)C(=O)O

InChI

InChI=1S/C12H7N3O2S2/c16-11(17)9-5-7-3-1-2-4-8(7)10(14-9)19-12-15-13-6-18-12/h1-6H,(H,16,17)