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

Systemtic Name: methyl 4-[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5-diethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCC1=NN=C(N1CC)SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C16H20N4O3S/c1-4-13-18-19-16(20(13)5-2)24-10-14(21)17-12-8-6-11(7-9-12)15(22)23-3/h6-9H,4-5,10H2,1-3H3,(H,17,21)