(E)-3-azanyl-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile

Systemtic Name: (E)-3-azanyl-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylethanoyl]but-2-enenitrile Openeye Name: (E)-3-amino-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile CAS Name: (E)-3-amino-2-[1-oxo-2-[(1-phenyl-2-benzimidazolyl)thio]ethyl]-2-butenenitrile IUPAC Name: (E)-3-amino-2-[2-(1-phenylbenzimidazol-2-yl)sulfanylacetyl]but-2-enenitrile Traditional Name: (E)-3-amino-2-[2-[(1-phenylbenzimidazol-2-yl)thio]acetyl]but-2-enenitrile Formula: C19H16N4OS MolecularWeight: 348.42154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)CSC1=NC2=CC=CC=C2N1C3=CC=CC=C3)/N

InChI

InChI=1S/C19H16N4OS/c1-13(21)15(11-20)18(24)12-25-19-22-16-9-5-6-10-17(16)23(19)14-7-3-2-4-8-14/h2-10H,12,21H2,1H3/b15-13+