[(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(1-ethyl-5-methyl-4-nitro-pyrazol-3-yl)methanone

Systemtic Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(1-ethyl-5-methyl-4-nitro-pyrazol-3-yl)methanone Openeye Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(1-ethyl-5-methyl-4-nitro-pyrazol-3-yl)methanone CAS Name: [(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]-(1-ethyl-5-methyl-4-nitro-3-pyrazolyl)methanone IUPAC Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-(1-ethyl-5-methyl-4-nitropyrazol-3-yl)methanone Traditional Name: [(2S)-2-[bis(ethylthio)methyl]pyrrolidino]-(1-ethyl-5-methyl-4-nitro-pyrazol-3-yl)methanone Formula: C16H26N4O3S2 MolecularWeight: 386.53264

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C(=O)N2CCCC2C(SCC)SCC)[N+](=O)[O-])C

Isomeric SMILES

CCN1C(=C(C(=N1)C(=O)N2CCC[C@H]2C(SCC)SCC)[N+](=O)[O-])C

InChI

InChI=1S/C16H26N4O3S2/c1-5-19-11(4)14(20(22)23)13(17-19)15(21)18-10-8-9-12(18)16(24-6-2)25-7-3/h12,16H,5-10H2,1-4H3/t12-/m0/s1