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

Systemtic Name: methyl 4-[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-ethyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-ethyl-1,2,4-triazol-3-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCN1C=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H18N4O3S/c1-3-19-10-17-18-15(19)23-9-13(20)16-8-11-4-6-12(7-5-11)14(21)22-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,20)