3-[2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[(2-keto-1-methyl-2-morpholino-ethyl)thio]benzimidazol-1-yl]propionitrile Formula: C17H20N4O2S MolecularWeight: 344.4313

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C17H20N4O2S/c1-13(16(22)20-9-11-23-12-10-20)24-17-19-14-5-2-3-6-15(14)21(17)8-4-7-18/h2-3,5-6,13H,4,8-12H2,1H3