3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1H-benzimidazol-2-ylmethylthio)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1H-benzimidazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1H-benzimidazol-2-ylmethylthio)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C21H24N6OS MolecularWeight: 408.51986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H24N6OS/c1-21(2,3)14-8-10-15(11-9-14)28-12-19-25-26-20(27(19)22)29-13-18-23-16-6-4-5-7-17(16)24-18/h4-11H,12-13,22H2,1-3H3,(H,23,24)