4-[(E)-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid

Systemtic Name: 4-[(E)-(5-oxidanylidene-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid Openeye Name: 4-[(E)-(5-oxo-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid CAS Name: 4-[(E)-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid IUPAC Name: 4-[(E)-(5-oxo-3-sulfanylidene-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid Traditional Name: 4-[(E)-(5-keto-3-thioxo-2H-1,2,4-triazin-4-yl)iminomethyl]benzoic acid Formula: C11H8N4O3S MolecularWeight: 276.27122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NN2C(=O)C=NNC2=S)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H8N4O3S/c16-9-6-12-14-11(19)15(9)13-5-7-1-3-8(4-2-7)10(17)18/h1-6H,(H,14,19)(H,17,18)/b13-5+