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

Systemtic Name: ethyl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C12H12N4O2S MolecularWeight: 276.31428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O2S/c1-2-18-11(17)10-6-4-3-5-9(10)7-14-16-8-13-15-12(16)19/h3-8H,2H2,1H3,(H,15,19)/b14-7+