2-(2-carbamothioylpyridin-4-yl)sulfanylbutanoic acid

Systemtic Name: 2-(2-carbamothioylpyridin-4-yl)sulfanylbutanoic acid Openeye Name: 2-[(2-carbamothioyl-4-pyridyl)sulfanyl]butanoic acid CAS Name: 2-[(2-carbamothioyl-4-pyridinyl)thio]butanoic acid IUPAC Name: 2-(2-carbamothioylpyridin-4-yl)sulfanylbutanoic acid Traditional Name: 2-[(2-thiocarbamoyl-4-pyridyl)thio]butyric acid Formula: C10H12N2O2S2 MolecularWeight: 256.34448

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)SC1=CC(=NC=C1)C(=S)N

Isomeric SMILES

CCC(C(=O)O)SC1=CC(=NC=C1)C(=S)N

InChI

InChI=1S/C10H12N2O2S2/c1-2-8(10(13)14)16-6-3-4-12-7(5-6)9(11)15/h3-5,8H,2H2,1H3,(H2,11,15)(H,13,14)