2-[[5-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[5-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[5-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[5-(4,6-diphenyl-2-pyrimidinyl)-1H-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[5-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[5-(4,6-diphenylpyrimidin-2-yl)-1H-1,2,4-triazol-3-yl]thio]acetic acid Formula: C20H15N5O2S MolecularWeight: 389.4304

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=NC(=NN3)SCC(=O)O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=NC(=NN3)SCC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C20H15N5O2S/c26-17(27)12-28-20-23-19(24-25-20)18-21-15(13-7-3-1-4-8-13)11-16(22-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,26,27)(H,23,24,25)