1-[4-(phenylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[4-(phenylmethyl)-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-benzyl-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[4-(phenylmethyl)-5-[(2-phenylphenyl)methylthio]-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-benzyl-5-[(2-phenylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-benzyl-5-[(2-phenylbenzyl)thio]-1,2,4-triazol-3-yl]butylamine Formula: C26H28N4S MolecularWeight: 428.59232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC=C3C4=CC=CC=C4)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=CC=C2)SCC3=CC=CC=C3C4=CC=CC=C4)N

InChI

InChI=1S/C26H28N4S/c1-2-11-24(27)25-28-29-26(30(25)18-20-12-5-3-6-13-20)31-19-22-16-9-10-17-23(22)21-14-7-4-8-15-21/h3-10,12-17,24H,2,11,18-19,27H2,1H3