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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC=C(C=C2)C(=O)OC

InChI

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