ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: ethyl 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid ethyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O2S/c1-3-19-12(18)11-7-5-4-6-10(11)8-14-17-9(2)15-16-13(17)20/h4-8H,3H2,1-2H3,(H,16,20)/b14-8+