4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: 4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 4-[(Z)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Formula: C10H7N4O2S- MolecularWeight: 247.25318

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN2C=NNC2=S)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=N\N2C=NNC2=S)C(=O)[O-]

InChI

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