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

Systemtic Name: 3,5-dimethyl-1-[(4-methylsulfanylphenyl)methyl]-4-nitro-pyrazole Openeye Name: 3,5-dimethyl-1-[(4-methylsulfanylphenyl)methyl]-4-nitro-pyrazole CAS Name: 3,5-dimethyl-1-[[4-(methylthio)phenyl]methyl]-4-nitropyrazole IUPAC Name: 3,5-dimethyl-1-[(4-methylsulfanylphenyl)methyl]-4-nitropyrazole Traditional Name: 3,5-dimethyl-1-[4-(methylthio)benzyl]-4-nitro-pyrazole Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)SC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)SC)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-9-13(16(17)18)10(2)15(14-9)8-11-4-6-12(19-3)7-5-11/h4-7H,8H2,1-3H3