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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H16N4O3S/c1-18-9-16-17-14(18)22-8-12(19)15-7-10-3-5-11(6-4-10)13(20)21-2/h3-6,9H,7-8H2,1-2H3,(H,15,19)