2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[4-(2-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxylic acid CAS Name: 2-[[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[[4-(2-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxylic acid Formula: C19H15N5O3S2 MolecularWeight: 425.4841

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)O)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=NC(=CS3)C(=O)O)C4=CC=NC=C4

InChI

InChI=1S/C19H15N5O3S2/c1-27-15-5-3-2-4-14(15)24-17(12-6-8-20-9-7-12)22-23-19(24)29-11-16-21-13(10-28-16)18(25)26/h2-10H,11H2,1H3,(H,25,26)