3,5-dimethyl-4-nitro-1-(2-phenylsulfanylethyl)pyrazole

Systemtic Name: 3,5-dimethyl-4-nitro-1-(2-phenylsulfanylethyl)pyrazole Openeye Name: 3,5-dimethyl-4-nitro-1-(2-phenylsulfanylethyl)pyrazole CAS Name: 3,5-dimethyl-4-nitro-1-[2-(phenylthio)ethyl]pyrazole IUPAC Name: 3,5-dimethyl-4-nitro-1-(2-phenylsulfanylethyl)pyrazole Traditional Name: 3,5-dimethyl-4-nitro-1-[2-(phenylthio)ethyl]pyrazole Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CCSC2=CC=CC=C2)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CCSC2=CC=CC=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O2S/c1-10-13(16(17)18)11(2)15(14-10)8-9-19-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3