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

Systemtic Name: 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Openeye Name: 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid CAS Name: 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid IUPAC Name: 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Traditional Name: 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid Formula: C10H8N4O2S MolecularWeight: 248.26112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C=NNC2=S)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C10H8N4O2S/c15-9(16)8-4-2-1-3-7(8)5-12-14-6-11-13-10(14)17/h1-6H,(H,13,17)(H,15,16)/b12-5+