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

Systemtic Name: 3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: 3-[5-(4-chlorophenyl)sulfanyl-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 3-[5-[(4-chlorophenyl)thio]-2-furanyl]-2-(6-methyl-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: 3-[5-(4-chlorophenyl)sulfanylfuran-2-yl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: 3-[5-[(4-chlorophenyl)thio]-2-furyl]-2-(6-methyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C21H14ClN3OS MolecularWeight: 391.87336

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClN3OS/c1-13-2-8-18-19(10-13)25-21(24-18)14(12-23)11-16-5-9-20(26-16)27-17-6-3-15(22)4-7-17/h2-11H,1H3,(H,24,25)