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

Systemtic Name: methyl 4-[2-[(4-azanyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O3S/c1-3-11-17-18-14(19(11)15)23-8-12(20)16-10-6-4-9(5-7-10)13(21)22-2/h4-7H,3,8,15H2,1-2H3,(H,16,20)