(E)-3-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-[5-(4-bromanyl-3-chloranyl-phenyl)furan-2-yl]-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-[5-(4-bromo-3-chlorophenyl)-2-furanyl]-2-(6-methoxy-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-[5-(4-bromo-3-chlorophenyl)furan-2-yl]-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-[5-(4-bromo-3-chloro-phenyl)-2-furyl]-2-(6-methoxy-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H13BrClN3O2 MolecularWeight: 454.70382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=C(O3)C4=CC(=C(C=C4)Br)Cl)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)Br)Cl)/C#N

InChI

InChI=1S/C21H13BrClN3O2/c1-27-14-3-6-18-19(10-14)26-21(25-18)13(11-24)8-15-4-7-20(28-15)12-2-5-16(22)17(23)9-12/h2-10H,1H3,(H,25,26)/b13-8+