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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1C=C(C#N)C2=NC3=C(N2)C=C(C=C3)C)I)I

Isomeric SMILES

CCCOC1=C(C=C(C=C1/C=C(\C#N)/C2=NC3=C(N2)C=C(C=C3)C)I)I

InChI

InChI=1S/C20H17I2N3O/c1-3-6-26-19-13(9-15(21)10-16(19)22)8-14(11-23)20-24-17-5-4-12(2)7-18(17)25-20/h4-5,7-10H,3,6H2,1-2H3,(H,24,25)/b14-8+