S-(3-chlorophenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate

Systemtic Name: S-(3-chlorophenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-(3-chlorophenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-(3-chlorophenyl) ester IUPAC Name: S-(3-chlorophenyl) 2,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 2,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-(3-chlorophenyl) ester Formula: C12H10ClN3O3S MolecularWeight: 311.7441

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1[N+](=O)[O-])C(=O)SC2=CC(=CC=C2)Cl)C

Isomeric SMILES

CC1=NN(C(=C1[N+](=O)[O-])C(=O)SC2=CC(=CC=C2)Cl)C

InChI

InChI=1S/C12H10ClN3O3S/c1-7-10(16(18)19)11(15(2)14-7)12(17)20-9-5-3-4-8(13)6-9/h3-6H,1-2H3