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

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

CCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

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