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

Systemtic Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-pyrazol-3-yl]methanone Openeye Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-pyrazol-3-yl]methanone CAS Name: [(2S)-2-[bis(ethylthio)methyl]-1-pyrrolidinyl]-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitro-3-pyrazolyl]methanone IUPAC Name: [(2S)-2-[bis(ethylsulfanyl)methyl]pyrrolidin-1-yl]-[1-[(4-methoxyphenyl)methyl]-5-methyl-4-nitropyrazol-3-yl]methanone Traditional Name: [(2S)-2-[bis(ethylthio)methyl]pyrrolidino]-(5-methyl-4-nitro-1-p-anisyl-pyrazol-3-yl)methanone Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C1CCCN1C(=O)C2=NN(C(=C2[N+](=O)[O-])C)CC3=CC=C(C=C3)OC)SCC

Isomeric SMILES

CCSC([C@@H]1CCCN1C(=O)C2=NN(C(=C2[N+](=O)[O-])C)CC3=CC=C(C=C3)OC)SCC

InChI

InChI=1S/C22H30N4O4S2/c1-5-31-22(32-6-2)18-8-7-13-24(18)21(27)19-20(26(28)29)15(3)25(23-19)14-16-9-11-17(30-4)12-10-16/h9-12,18,22H,5-8,13-14H2,1-4H3/t18-/m0/s1