1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(4-pyrrolidin-1-ylsulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(4-pyrrolidinosulfonylphenyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C14H16N4O3S2 MolecularWeight: 352.43184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NN3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C14H16N4O3S2/c19-13(9-22-14-15-10-16-17-14)11-3-5-12(6-4-11)23(20,21)18-7-1-2-8-18/h3-6,10H,1-2,7-9H2,(H,15,16,17)