4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid Openeye Name: 4-benzyl-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid CAS Name: 4-(phenylmethyl)-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid IUPAC Name: 4-benzyl-5-sulfanylidene-1H-1,2,4-triazole-3-carboxylic acid Traditional Name: 4-benzyl-5-thioxo-1H-1,2,4-triazole-3-carboxylic acid Formula: C10H9N3O2S MolecularWeight: 235.26236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NNC2=S)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NNC2=S)C(=O)O

InChI

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