2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoic acid

Systemtic Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoic acid Openeye Name: 2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid CAS Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid IUPAC Name: 2-(3-phenyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid Traditional Name: 2-(3-phenyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)O

InChI

InChI=1S/C10H9N3O2S/c14-8(15)6-13-9(11-12-10(13)16)7-4-2-1-3-5-7/h1-5H,6H2,(H,12,16)(H,14,15)