4-chloranyl-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide Openeye Name: 4-chloro-N-[(2,4-dimethyl-6-nitro-phenyl)carbamothioyl]-2-ethyl-pyrazole-3-carboxamide CAS Name: 4-chloro-N-[(2,4-dimethyl-6-nitroanilino)-sulfanylidenemethyl]-2-ethyl-3-pyrazolecarboxamide IUPAC Name: 4-chloro-N-[(2,4-dimethyl-6-nitrophenyl)carbamothioyl]-2-ethylpyrazole-3-carboxamide Traditional Name: 4-chloro-N-[(2,4-dimethyl-6-nitro-phenyl)thiocarbamoyl]-2-ethyl-pyrazole-3-carboxamide Formula: C15H16ClN5O3S MolecularWeight: 381.83724

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])C)C

Isomeric SMILES

CCN1C(=C(C=N1)Cl)C(=O)NC(=S)NC2=C(C=C(C=C2[N+](=O)[O-])C)C

InChI

InChI=1S/C15H16ClN5O3S/c1-4-20-13(10(16)7-17-20)14(22)19-15(25)18-12-9(3)5-8(2)6-11(12)21(23)24/h5-7H,4H2,1-3H3,(H2,18,19,22,25)