2-(4-chlorophenyl)sulfanylethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: 2-(4-chlorophenyl)sulfanylethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: 2-(4-chlorophenyl)sulfanylethyl 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid 2-[(4-chlorophenyl)thio]ethyl ester IUPAC Name: 2-(4-chlorophenyl)sulfanylethyl 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid 2-[(4-chlorophenyl)thio]ethyl ester Formula: C15H16ClN3O4S MolecularWeight: 369.82324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCCSC2=CC=C(C=C2)Cl)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCCSC2=CC=C(C=C2)Cl)C)[N+](=O)[O-]

InChI

InChI=1S/C15H16ClN3O4S/c1-10-15(19(21)22)11(2)18(17-10)9-14(20)23-7-8-24-13-5-3-12(16)4-6-13/h3-6H,7-9H2,1-2H3