2-(1H-perimidin-2-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-(1H-perimidin-2-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-(1H-perimidin-2-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone CAS Name: 2-(1H-perimidin-2-ylthio)-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-(1H-perimidin-2-ylsulfanyl)-1-pyrrolidin-1-ylethanone Traditional Name: 2-(1H-perimidin-2-ylthio)-1-pyrrolidino-ethanone Formula: C17H17N3OS MolecularWeight: 311.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C17H17N3OS/c21-15(20-9-1-2-10-20)11-22-17-18-13-7-3-5-12-6-4-8-14(19-17)16(12)13/h3-8H,1-2,9-11H2,(H,18,19)