4-[3-butyl-5-(diphenylmethyl)sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline

Systemtic Name: 4-[3-butyl-5-(diphenylmethyl)sulfanyl-1,2,4-triazol-4-yl]-N,N-dimethyl-aniline Openeye Name: 4-(3-benzhydrylsulfanyl-5-butyl-1,2,4-triazol-4-yl)-N,N-dimethyl-aniline CAS Name: 4-[3-butyl-5-[(diphenylmethyl)thio]-1,2,4-triazol-4-yl]-N,N-dimethylaniline IUPAC Name: 4-(3-benzhydrylsulfanyl-5-butyl-1,2,4-triazol-4-yl)-N,N-dimethylaniline Traditional Name: [4-[3-(benzhydrylthio)-5-butyl-1,2,4-triazol-4-yl]phenyl]-dimethyl-amine Formula: C27H30N4S MolecularWeight: 442.6189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SC(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=NN=C(N1C2=CC=C(C=C2)N(C)C)SC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H30N4S/c1-4-5-16-25-28-29-27(31(25)24-19-17-23(18-20-24)30(2)3)32-26(21-12-8-6-9-13-21)22-14-10-7-11-15-22/h6-15,17-20,26H,4-5,16H2,1-3H3