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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC1=NC(=NN1C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H23N3O2/c1-2-12-22-26-23(24(29)30)27-28(22)25(19-13-6-3-7-14-19,20-15-8-4-9-16-20)21-17-10-5-11-18-21/h3-11,13-18H,2,12H2,1H3,(H,29,30)