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

Systemtic Name: 2-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole-4-carboxylic acid CAS Name: 2-[[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazole-4-carboxylic acid Formula: C20H16N4O2S2 MolecularWeight: 408.49664

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=CS4)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=CS4)C(=O)O

InChI

InChI=1S/C20H16N4O2S2/c25-19(26)16-12-27-18(21-16)13-28-20-23-22-17(11-14-7-3-1-4-8-14)24(20)15-9-5-2-6-10-15/h1-10,12H,11,13H2,(H,25,26)