3,5-dimethyl-4-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole

Systemtic Name: 3,5-dimethyl-4-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole Openeye Name: 3,5-dimethyl-4-nitro-1-[[(2R)-2-(2-thienyl)pyrrolidin-1-yl]methyl]pyrazole CAS Name: 3,5-dimethyl-4-nitro-1-[[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]methyl]pyrazole IUPAC Name: 3,5-dimethyl-4-nitro-1-[[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrazole Traditional Name: 3,5-dimethyl-4-nitro-1-[[(2R)-2-(2-thienyl)pyrrolidino]methyl]pyrazole Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2CCCC2C3=CC=CS3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2CCC[C@@H]2C3=CC=CS3)C)[N+](=O)[O-]

InChI

InChI=1S/C14H18N4O2S/c1-10-14(18(19)20)11(2)17(15-10)9-16-7-3-5-12(16)13-6-4-8-21-13/h4,6,8,12H,3,5,7,9H2,1-2H3/t12-/m1/s1