5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonic acid

Systemtic Name: 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonic acid Openeye Name: 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonic acid CAS Name: 5-[2-(methylthio)-4-pyrimidinyl]-2-thiophenesulfonic acid IUPAC Name: 5-(2-methylsulfanylpyrimidin-4-yl)thiophene-2-sulfonic acid Traditional Name: 5-[2-(methylthio)pyrimidin-4-yl]thiophene-2-sulfonic acid Formula: C9H8N2O3S3 MolecularWeight: 288.36642

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)O

Isomeric SMILES

CSC1=NC=CC(=N1)C2=CC=C(S2)S(=O)(=O)O

InChI

InChI=1S/C9H8N2O3S3/c1-15-9-10-5-4-6(11-9)7-2-3-8(16-7)17(12,13)14/h2-5H,1H3,(H,12,13,14)