N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-chloranyl-aniline

Systemtic Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-chloranyl-aniline Openeye Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-chloro-aniline CAS Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-chloroaniline IUPAC Name: N-[[3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl]-4-chloroaniline Traditional Name: [3-(4-tert-butylphenyl)-1H-1,2,4-triazol-5-yl]methyl-(4-chlorophenyl)amine Formula: C19H21ClN4 MolecularWeight: 340.84984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CNC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=N2)CNC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4/c1-19(2,3)14-6-4-13(5-7-14)18-22-17(23-24-18)12-21-16-10-8-15(20)9-11-16/h4-11,21H,12H2,1-3H3,(H,22,23,24)