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

Systemtic Name: methyl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: methyl 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid methyl ester Formula: C11H10N4O2S MolecularWeight: 262.2877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N4O2S/c1-17-10(16)9-5-3-2-4-8(9)6-13-15-7-12-14-11(15)18/h2-7H,1H3,(H,14,18)/b13-6+