1-ethyl-N-[(2-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide

Systemtic Name: 1-ethyl-N-[(2-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide Openeye Name: 1-ethyl-N-[(2-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide CAS Name: 1-ethyl-N-[(2-nitroanilino)-sulfanylidenemethyl]-4-pyrazolecarboxamide IUPAC Name: 1-ethyl-N-[(2-nitrophenyl)carbamothioyl]pyrazole-4-carboxamide Traditional Name: 1-ethyl-N-[(2-nitrophenyl)thiocarbamoyl]pyrazole-4-carboxamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S/c1-2-17-8-9(7-14-17)12(19)16-13(22)15-10-5-3-4-6-11(10)18(20)21/h3-8H,2H2,1H3,(H2,15,16,19,22)