2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(4-pyridyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-(2-pyridin-4-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2-(4-pyridyl)pyrrolidino]ethanone Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=NC3=CC=CC=C3S2)C4=CC=NC=C4

InChI

InChI=1S/C18H17N3OS2/c22-17(12-23-18-20-14-4-1-2-6-16(14)24-18)21-11-3-5-15(21)13-7-9-19-10-8-13/h1-2,4,6-10,15H,3,5,11-12H2