3-(3-iodanyl-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-(3-iodanyl-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-(3-iodo-4-prop-2-ynoxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-(3-iodo-4-prop-2-ynoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-(3-iodo-4-prop-2-ynoxyphenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-(3-iodo-4-propargyloxy-phenyl)-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C20H14IN3O MolecularWeight: 439.24913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OCC#C)I)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3)OCC#C)I)C#N

InChI

InChI=1S/C20H14IN3O/c1-3-8-25-19-7-5-14(11-16(19)21)10-15(12-22)20-23-17-6-4-13(2)9-18(17)24-20/h1,4-7,9-11H,8H2,2H3,(H,23,24)