3-(4-tert-butylphenyl)-5-(phenylmethyl)-1H-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-5-(phenylmethyl)-1H-1,2,4-triazole Openeye Name: 5-benzyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-5-(phenylmethyl)-1H-1,2,4-triazole IUPAC Name: 5-benzyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole Traditional Name: 5-benzyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole Formula: C19H21N3 MolecularWeight: 291.39014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C19H21N3/c1-19(2,3)16-11-9-15(10-12-16)18-20-17(21-22-18)13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,20,21,22)