5-butyl-3-(2-propan-2-ylphenyl)-1H-1,2,4-triazole

Systemtic Name: 5-butyl-3-(2-propan-2-ylphenyl)-1H-1,2,4-triazole Openeye Name: 5-butyl-3-(2-isopropylphenyl)-1H-1,2,4-triazole CAS Name: 5-butyl-3-(2-propan-2-ylphenyl)-1H-1,2,4-triazole IUPAC Name: 5-butyl-3-(2-propan-2-ylphenyl)-1H-1,2,4-triazole Traditional Name: 5-butyl-3-o-cumenyl-1H-1,2,4-triazole Formula: C15H21N3 MolecularWeight: 243.34734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1)C2=CC=CC=C2C(C)C

Isomeric SMILES

CCCCC1=NC(=NN1)C2=CC=CC=C2C(C)C

InChI

InChI=1S/C15H21N3/c1-4-5-10-14-16-15(18-17-14)13-9-7-6-8-12(13)11(2)3/h6-9,11H,4-5,10H2,1-3H3,(H,16,17,18)