(E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile Openeye Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile CAS Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-[2-(phenylthio)phenyl]-2-propenenitrile IUPAC Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-(2-phenylsulfanylphenyl)prop-2-enenitrile Traditional Name: (E)-2-(6-methoxy-1H-benzimidazol-2-yl)-3-[2-(phenylthio)phenyl]acrylonitrile Formula: C23H17N3OS MolecularWeight: 383.46558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC=CC=C3SC4=CC=CC=C4)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC=CC=C3SC4=CC=CC=C4)/C#N

InChI

InChI=1S/C23H17N3OS/c1-27-18-11-12-20-21(14-18)26-23(25-20)17(15-24)13-16-7-5-6-10-22(16)28-19-8-3-2-4-9-19/h2-14H,1H3,(H,25,26)/b17-13+