2-pyrimidin-2-ylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-pyrimidin-2-ylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-pyrimidin-2-ylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-(2-pyrimidinylthio)-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-pyrimidin-2-ylsulfanyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(2-pyrimidylthio)-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H17N3O3S2/c20-15(12-23-16-17-8-3-9-18-16)13-4-6-14(7-5-13)24(21,22)19-10-1-2-11-19/h3-9H,1-2,10-12H2