4-phenyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 4-phenyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid Openeye Name: 4-phenyl-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid CAS Name: 4-phenyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid IUPAC Name: 4-phenyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid Traditional Name: 4-phenyl-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid Formula: C9H7N3O2S MolecularWeight: 221.23578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NNC2=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NNC2=S)C(=O)O

InChI

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