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

Systemtic Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylthio]-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-butyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-butyl-5-[(4-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=C(C=C3)Cl

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)N)SCC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN4S/c1-2-3-4-19-23-24-20(26-14-16-5-9-17(21)10-6-16)25(19)13-15-7-11-18(22)12-8-15/h5-12H,2-4,13-14,22H2,1H3