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

Systemtic Name: S-(4-methoxyphenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate Openeye Name: S-(4-methoxyphenyl) 2,5-dimethyl-4-nitro-pyrazole-3-carbothioate CAS Name: 2,5-dimethyl-4-nitro-3-pyrazolecarbothioic acid S-(4-methoxyphenyl) ester IUPAC Name: S-(4-methoxyphenyl) 2,5-dimethyl-4-nitropyrazole-3-carbothioate Traditional Name: 2,5-dimethyl-4-nitro-pyrazole-3-carbothioic acid S-(4-methoxyphenyl) ester Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O4S/c1-8-11(16(18)19)12(15(2)14-8)13(17)21-10-6-4-9(20-3)5-7-10/h4-7H,1-3H3