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1,3-dimethyl-5-(4-methylphenyl)sulfanyl-4-nitro-pyrazole

1,3-dimethyl-5-(4-methylphenyl)sulfanyl-4-nitro-pyrazole

Systemtic Name:1,3-dimethyl-5-(4-methylphenyl)sulfanyl-4-nitro-pyrazole
Openeye Name:1,3-dimethyl-4-nitro-5-(p-tolylsulfanyl)pyrazole
CAS Name:1,3-dimethyl-5-[(4-methylphenyl)thio]-4-nitropyrazole
IUPAC Name:1,3-dimethyl-5-(4-methylphenyl)sulfanyl-4-nitropyrazole
Traditional Name:1,3-dimethyl-4-nitro-5-(p-tolylthio)pyrazole
Formula: C12H13N3O2S
MolecularWeight: 263.31552
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C)[N+](=O)[O-]


Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=NN2C)C)[N+](=O)[O-]


InChI

InChI=1S/C12H13N3O2S/c1-8-4-6-10(7-5-8)18-12-11(15(16)17)9(2)13-14(12)3/h4-7H,1-3H3


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