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

Systemtic Name: methyl 3-[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-ethyl-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CCC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C14H16N4O3S/c1-3-11-16-14(18-17-11)22-8-12(19)15-10-6-4-5-9(7-10)13(20)21-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17,18)