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

Systemtic Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxylic acid CAS Name: 2-[[[4-(4-methylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[4-(4-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[[4-(p-tolyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxylic acid Formula: C19H15N5O2S2 MolecularWeight: 409.4847

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)O)C4=CN=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NC(=CS3)C(=O)O)C4=CN=CC=C4

InChI

InChI=1S/C19H15N5O2S2/c1-12-4-6-14(7-5-12)24-17(13-3-2-8-20-9-13)22-23-19(24)28-11-16-21-15(10-27-16)18(25)26/h2-10H,11H2,1H3,(H,25,26)