5-chloranyl-N-octyl-2-(1,2,4-triazol-1-yl)aniline

Systemtic Name: 5-chloranyl-N-octyl-2-(1,2,4-triazol-1-yl)aniline Openeye Name: 5-chloro-N-octyl-2-(1,2,4-triazol-1-yl)aniline CAS Name: 5-chloro-N-octyl-2-(1,2,4-triazol-1-yl)aniline IUPAC Name: 5-chloro-N-octyl-2-(1,2,4-triazol-1-yl)aniline Traditional Name: [5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-octyl-amine Formula: C16H23ClN4 MolecularWeight: 306.83362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC1=C(C=CC(=C1)Cl)N2C=NC=N2

Isomeric SMILES

CCCCCCCCNC1=C(C=CC(=C1)Cl)N2C=NC=N2

InChI

InChI=1S/C16H23ClN4/c1-2-3-4-5-6-7-10-19-15-11-14(17)8-9-16(15)21-13-18-12-20-21/h8-9,11-13,19H,2-7,10H2,1H3