5-propan-2-yl-1-(triphenylmethyl)-1,2,4-triazole-3-carboxylic acid

Systemtic Name: 5-propan-2-yl-1-(triphenylmethyl)-1,2,4-triazole-3-carboxylic acid Openeye Name: 5-isopropyl-1-trityl-1,2,4-triazole-3-carboxylic acid CAS Name: 5-propan-2-yl-1-(triphenylmethyl)-1,2,4-triazole-3-carboxylic acid IUPAC Name: 5-propan-2-yl-1-trityl-1,2,4-triazole-3-carboxylic acid Traditional Name: 5-isopropyl-1-trityl-1,2,4-triazole-3-carboxylic acid Formula: C25H23N3O2 MolecularWeight: 397.46902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1=NC(=NN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23N3O2/c1-18(2)23-26-22(24(29)30)27-28(23)25(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-18H,1-2H3,(H,29,30)