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

Systemtic Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Openeye Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline CAS Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylthio]-1,2,4-triazol-4-yl]methyl]aniline IUPAC Name: 4-[[3-butyl-5-[(4-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methyl]aniline Traditional Name: [4-[[3-butyl-5-(p-anisylthio)-1,2,4-triazol-4-yl]methyl]phenyl]amine Formula: C21H26N4OS MolecularWeight: 382.52234

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4OS/c1-3-4-5-20-23-24-21(25(20)14-16-6-10-18(22)11-7-16)27-15-17-8-12-19(26-2)13-9-17/h6-13H,3-5,14-15,22H2,1-2H3