2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridinyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[3-(1H-benzimidazol-2-yl)-2-pyridyl]thio]-1-pyrrolidino-ethanone Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=C(C=CC=N2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H18N4OS/c23-16(22-10-3-4-11-22)12-24-18-13(6-5-9-19-18)17-20-14-7-1-2-8-15(14)21-17/h1-2,5-9H,3-4,10-12H2,(H,20,21)