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

Systemtic Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromanyl-5-(4-methylphenyl)sulfanyl-furan-2-yl]prop-2-enenitrile Openeye Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(p-tolylsulfanyl)-2-furyl]prop-2-enenitrile CAS Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-[(4-methylphenyl)thio]-2-furanyl]-2-propenenitrile IUPAC Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(4-methylphenyl)sulfanylfuran-2-yl]prop-2-enenitrile Traditional Name: (Z)-2-(1H-benzimidazol-2-yl)-3-[4-bromo-5-(p-tolylthio)-2-furyl]acrylonitrile Formula: C21H14BrN3OS MolecularWeight: 436.32436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(O2)C=C(C#N)C3=NC4=CC=CC=C4N3)Br

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(O2)/C=C(/C#N)\C3=NC4=CC=CC=C4N3)Br

InChI

InChI=1S/C21H14BrN3OS/c1-13-6-8-16(9-7-13)27-21-17(22)11-15(26-21)10-14(12-23)20-24-18-4-2-3-5-19(18)25-20/h2-11H,1H3,(H,24,25)/b14-10-