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

Systemtic Name: 5-butyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole Openeye Name: 5-butyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole CAS Name: 5-butyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-butyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole Traditional Name: 5-butyl-3-(4-tert-butylphenyl)-1H-1,2,4-triazole Formula: C16H23N3 MolecularWeight: 257.37392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCC1=NC(=NN1)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C16H23N3/c1-5-6-7-14-17-15(19-18-14)12-8-10-13(11-9-12)16(2,3)4/h8-11H,5-7H2,1-4H3,(H,17,18,19)