4-chloranyl-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 4-chloranyl-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 4-chloro-2,5-dimethyl-N-[(4-nitroanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 4-chloro-2,5-dimethyl-N-[(4-nitrophenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C13H12ClN5O3S MolecularWeight: 353.78408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=NN(C(=C1Cl)C(=O)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C13H12ClN5O3S/c1-7-10(14)11(18(2)17-7)12(20)16-13(23)15-8-3-5-9(6-4-8)19(21)22/h3-6H,1-2H3,(H2,15,16,20,23)