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

Systemtic Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carboxylic acid CAS Name: 2-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carboxylic acid Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=CS4)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C20H16N4O3S2/c1-27-15-9-5-6-13(10-15)18-22-23-20(24(18)14-7-3-2-4-8-14)29-12-17-21-16(11-28-17)19(25)26/h2-11H,12H2,1H3,(H,25,26)