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

Systemtic Name: methyl 4,5-dimethoxy-2-[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C3=CN=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2C(=O)OC)OC)OC)C3=CN=CC=C3

InChI

InChI=1S/C20H21N5O5S/c1-25-18(12-6-5-7-21-10-12)23-24-20(25)31-11-17(26)22-14-9-16(29-3)15(28-2)8-13(14)19(27)30-4/h5-10H,11H2,1-4H3,(H,22,26)