4-(5-sulfanylidene-1,4-dihydro-1,2,3-triazol-4-yl)benzoic acid

Systemtic Name: 4-(5-sulfanylidene-1,4-dihydro-1,2,3-triazol-4-yl)benzoic acid Openeye Name: 4-(5-thioxo-1,4-dihydrotriazol-4-yl)benzoic acid CAS Name: 4-(5-sulfanylidene-1,4-dihydrotriazol-4-yl)benzoic acid IUPAC Name: 4-(5-sulfanylidene-1,4-dihydrotriazol-4-yl)benzoic acid Traditional Name: 4-(5-thioxo-1,4-dihydrotriazol-4-yl)benzoic acid Formula: C9H7N3O2S MolecularWeight: 221.23578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2C(=S)NN=N2)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2C(=S)NN=N2)C(=O)O

InChI

InChI=1S/C9H7N3O2S/c13-9(14)6-3-1-5(2-4-6)7-8(15)11-12-10-7/h1-4,7H,(H,13,14)(H,10,11,15)