4-phenyl-5-sulfanyl-5H-1,2,3,4-tetrazole-1-carboxylic acid

Systemtic Name: 4-phenyl-5-sulfanyl-5H-1,2,3,4-tetrazole-1-carboxylic acid Openeye Name: 4-phenyl-5-sulfanyl-5H-tetrazole-1-carboxylic acid CAS Name: 5-mercapto-4-phenyl-5H-tetrazole-1-carboxylic acid IUPAC Name: 4-phenyl-5-sulfanyl-5H-tetrazole-1-carboxylic acid Traditional Name: 5-mercapto-4-phenyl-5H-tetrazole-1-carboxylic acid Formula: C8H8N4O2S MolecularWeight: 224.23972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(N(N=N2)C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)N2C(N(N=N2)C(=O)O)S

InChI

InChI=1S/C8H8N4O2S/c13-8(14)12-7(15)11(9-10-12)6-4-2-1-3-5-6/h1-5,7,15H,(H,13,14)