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

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

Isomeric SMILES

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

InChI

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