(E)-2-(1H-benzimidazol-2-yl)-3-[4-bromanyl-5-(4-chlorophenyl)sulfanyl-furan-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-bromanyl-5-(4-chlorophenyl)sulfanyl-furan-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(4-chlorophenyl)sulfanyl-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-[(4-chlorophenyl)thio]-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-[(4-chlorophenyl)thio]-2-furyl]acrylonitrile Formula: C20H11BrClN3OS MolecularWeight: 456.74284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C#N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)/C(=C/C3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)/C#N

InChI

InChI=1S/C20H11BrClN3OS/c21-16-10-14(26-20(16)27-15-7-5-13(22)6-8-15)9-12(11-23)19-24-17-3-1-2-4-18(17)25-19/h1-10H,(H,24,25)/b12-9+