4-[[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline

Systemtic Name: 4-[[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-[(2-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-butyl-5-[(2-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-butyl-5-[(2-chlorobenzyl)thio]-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C20H23ClN4S MolecularWeight: 386.94142

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C20H23ClN4S/c1-2-3-8-19-23-24-20(26-14-16-6-4-5-7-18(16)21)25(19)13-15-9-11-17(22)12-10-15/h4-7,9-12H,2-3,8,13-14,22H2,1H3