1-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[1-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[1-[(3S)-1,1-dioxo-3-thiolanyl]-2,5-dimethyl-3-pyrrolyl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[1-[(3S)-1,1-dioxothiolan-3-yl]-2,5-dimethylpyrrol-3-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[1-[(3S)-1,1-diketothiolan-3-yl]-2,5-dimethyl-pyrrol-3-yl]-2-(2-pyrimidylthio)ethanone Formula: C16H19N3O3S2 MolecularWeight: 365.47036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCS(=O)(=O)C2)C)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(N1[C@H]2CCS(=O)(=O)C2)C)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C16H19N3O3S2/c1-11-8-14(15(20)9-23-16-17-5-3-6-18-16)12(2)19(11)13-4-7-24(21,22)10-13/h3,5-6,8,13H,4,7,9-10H2,1-2H3/t13-/m0/s1