(E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(p-tolylsulfanyl)-2-furyl]prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-[(4-methylphenyl)thio]-2-furanyl]-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(4-methylphenyl)sulfanylfuran-2-yl]prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-[5-(p-tolylthio)-2-furyl]acrylonitrile Formula: C21H15N3OS MolecularWeight: 357.4283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3OS/c1-14-6-9-17(10-7-14)26-20-11-8-16(25-20)12-15(13-22)21-23-18-4-2-3-5-19(18)24-21/h2-12H,1H3,(H,23,24)/b15-12+