3-[2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-oxidanylidene-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-oxo-2-[4-(1-pyrrolidinylsulfonyl)phenyl]ethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-keto-2-(4-pyrrolidinosulfonylphenyl)ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C22H22N4O3S2 MolecularWeight: 454.56508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C22H22N4O3S2/c23-12-5-15-26-20-7-2-1-6-19(20)24-22(26)30-16-21(27)17-8-10-18(11-9-17)31(28,29)25-13-3-4-14-25/h1-2,6-11H,3-5,13-16H2