2-(4-methoxy-2-pentan-3-yloxy-phenyl)-6-(1,2,4-triazol-1-yl)-1H-benzimidazole

Systemtic Name: 2-(4-methoxy-2-pentan-3-yloxy-phenyl)-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Openeye Name: 2-[2-(1-ethylpropoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole CAS Name: 2-(4-methoxy-2-pentan-3-yloxyphenyl)-6-(1,2,4-triazol-1-yl)-1H-benzimidazole IUPAC Name: 2-(4-methoxy-2-pentan-3-yloxyphenyl)-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Traditional Name: 2-[2-(1-ethylpropoxy)-4-methoxy-phenyl]-6-(1,2,4-triazol-1-yl)-1H-benzimidazole Formula: C21H23N5O2 MolecularWeight: 377.43962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)OC1=C(C=CC(=C1)OC)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4

Isomeric SMILES

CCC(CC)OC1=C(C=CC(=C1)OC)C2=NC3=C(N2)C=C(C=C3)N4C=NC=N4

InChI

InChI=1S/C21H23N5O2/c1-4-15(5-2)28-20-11-16(27-3)7-8-17(20)21-24-18-9-6-14(10-19(18)25-21)26-13-22-12-23-26/h6-13,15H,4-5H2,1-3H3,(H,24,25)