ethyl 4-[2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-amino-5-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCC1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C15H19N5O3S/c1-3-12-18-19-15(20(12)16)24-9-13(21)17-11-7-5-10(6-8-11)14(22)23-4-2/h5-8H,3-4,9,16H2,1-2H3,(H,17,21)