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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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