3,5-dimethyl-1-[1-(4-methylsulfanylphenyl)-2-nitro-ethyl]pyrazole

Systemtic Name: 3,5-dimethyl-1-[1-(4-methylsulfanylphenyl)-2-nitro-ethyl]pyrazole Openeye Name: 3,5-dimethyl-1-[1-(4-methylsulfanylphenyl)-2-nitro-ethyl]pyrazole CAS Name: 3,5-dimethyl-1-[1-[4-(methylthio)phenyl]-2-nitroethyl]pyrazole IUPAC Name: 3,5-dimethyl-1-[1-(4-methylsulfanylphenyl)-2-nitroethyl]pyrazole Traditional Name: 3,5-dimethyl-1-[1-[4-(methylthio)phenyl]-2-nitro-ethyl]pyrazole Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=C(C=C2)SC)C

Isomeric SMILES

CC1=CC(=NN1C(C[N+](=O)[O-])C2=CC=C(C=C2)SC)C

InChI

InChI=1S/C14H17N3O2S/c1-10-8-11(2)17(15-10)14(9-16(18)19)12-4-6-13(20-3)7-5-12/h4-8,14H,9H2,1-3H3