(E)-3-[3,5-bis(iodanyl)-2-propan-2-yloxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[3,5-bis(iodanyl)-2-propan-2-yloxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3,5-diiodo-2-isopropoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3,5-diiodo-2-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-diiodo-2-propan-2-yloxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3,5-diiodo-2-isopropoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C20H17I2N3O MolecularWeight: 569.17742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=CC(=C3OC(C)C)I)I)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=CC(=C3OC(C)C)I)I)/C#N

InChI

InChI=1S/C20H17I2N3O/c1-11(2)26-19-13(8-15(21)9-16(19)22)7-14(10-23)20-24-17-5-4-12(3)6-18(17)25-20/h4-9,11H,1-3H3,(H,24,25)/b14-7+