1-butyl-5-[(6S)-dodecan-6-yl]-1,2,4-triazole

Systemtic Name: 1-butyl-5-[(6S)-dodecan-6-yl]-1,2,4-triazole Openeye Name: 1-butyl-5-[(1S)-1-pentylheptyl]-1,2,4-triazole CAS Name: 1-butyl-5-[(6S)-dodecan-6-yl]-1,2,4-triazole IUPAC Name: 1-butyl-5-[(6S)-dodecan-6-yl]-1,2,4-triazole Traditional Name: 5-[(1S)-1-amylheptyl]-1-butyl-1,2,4-triazole Formula: C18H35N3 MolecularWeight: 293.4906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCC)C1=NC=NN1CCCC

Isomeric SMILES

CCCCCC[C@H](CCCCC)C1=NC=NN1CCCC

InChI

InChI=1S/C18H35N3/c1-4-7-10-12-14-17(13-11-8-5-2)18-19-16-20-21(18)15-9-6-3/h16-17H,4-15H2,1-3H3/t17-/m0/s1