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

Systemtic Name: (E)-3-[3,5-bis(iodanyl)-2-methoxy-phenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(3,5-diiodo-2-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(3,5-diiodo-2-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(3,5-diiodo-2-methoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(3,5-diiodo-2-methoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C18H13I2N3O MolecularWeight: 541.12426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13I2N3O/c1-10-3-4-15-16(5-10)23-18(22-15)12(9-21)6-11-7-13(19)8-14(20)17(11)24-2/h3-8H,1-2H3,(H,22,23)/b12-6+