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

Systemtic Name: methyl 4-[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C19H19N5O3S MolecularWeight: 397.45086

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3

InChI

InChI=1S/C19H19N5O3S/c1-24-17(14-7-9-20-10-8-14)22-23-19(24)28-12-16(25)21-11-13-3-5-15(6-4-13)18(26)27-2/h3-10H,11-12H2,1-2H3,(H,21,25)