3-[4-bromanyl-5-(4-chlorophenyl)sulfanyl-furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: 3-[4-bromanyl-5-(4-chlorophenyl)sulfanyl-furan-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[4-bromo-5-(4-chlorophenyl)sulfanyl-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[4-bromo-5-[(4-chlorophenyl)thio]-2-furanyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[4-bromo-5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[4-bromo-5-[(4-chlorophenyl)thio]-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H13BrClN3OS MolecularWeight: 470.76942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C#N

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(O3)SC4=CC=C(C=C4)Cl)Br)C#N

InChI

InChI=1S/C21H13BrClN3OS/c1-12-2-7-18-19(8-12)26-20(25-18)13(11-24)9-15-10-17(22)21(27-15)28-16-5-3-14(23)4-6-16/h2-10H,1H3,(H,25,26)