3-[2-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(2S)-1-oxidanylidene-1-pyrrolidin-1-yl-propan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(1S)-1-methyl-2-oxo-2-pyrrolidin-1-yl-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[(2S)-1-oxo-1-(1-pyrrolidinyl)propan-2-yl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[(1S)-2-keto-1-methyl-2-pyrrolidino-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NC3=CC=CC=C3N2CCC#N

Isomeric SMILES

C[C@@H](C(=O)N1CCCC1)SC2=NC3=CC=CC=C3N2CCC#N

InChI

InChI=1S/C17H20N4OS/c1-13(16(22)20-10-4-5-11-20)23-17-19-14-7-2-3-8-15(14)21(17)12-6-9-18/h2-3,7-8,13H,4-6,10-12H2,1H3/t13-/m0/s1