4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid

Systemtic Name: 4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Openeye Name: 4-[(5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzoic acid CAS Name: 4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid IUPAC Name: 4-[(5-sulfanylidene-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Traditional Name: 4-[(5-thioxo-1H-1,2,4-triazol-4-yl)methyl]benzoic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NNC2=S)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NNC2=S)C(=O)O

InChI

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