ethyl 4-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2H-1,2,3-triazol-4-ylsulfanyl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(2H-triazol-4-ylthio)ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 4-[[2-(2H-triazol-4-ylthio)acetyl]amino]benzoic acid ethyl ester Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNN=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NNN=C2

InChI

InChI=1S/C13H14N4O3S/c1-2-20-13(19)9-3-5-10(6-4-9)15-11(18)8-21-12-7-14-17-16-12/h3-7H,2,8H2,1H3,(H,15,18)(H,14,16,17)