2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(2-phenyl-1H-1,2,4-triazol-2-ium-3-yl)thio]-1-pyrrolidino-ethanone Formula: C14H17N4OS+ MolecularWeight: 289.37598

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=[N+](NC=N2)C3=CC=CC=C3

InChI

InChI=1S/C14H16N4OS/c19-13(17-8-4-5-9-17)10-20-14-15-11-16-18(14)12-6-2-1-3-7-12/h1-3,6-7,11H,4-5,8-10H2/p+1