4-(phenylmethylsulfanyl)pyridine-3-sulfonic acid

Systemtic Name: 4-(phenylmethylsulfanyl)pyridine-3-sulfonic acid Openeye Name: 4-benzylsulfanylpyridine-3-sulfonic acid CAS Name: 4-(phenylmethylthio)-3-pyridinesulfonic acid IUPAC Name: 4-benzylsulfanylpyridine-3-sulfonic acid Traditional Name: 4-(benzylthio)pyridine-3-sulfonic acid Formula: C12H11NO3S2 MolecularWeight: 281.35064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=NC=C2)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=NC=C2)S(=O)(=O)O

InChI

InChI=1S/C12H11NO3S2/c14-18(15,16)12-8-13-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,14,15,16)