2-ethyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 2-ethyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 2-ethyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 2-ethyl-4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 2-ethyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 2-ethyl-4-[(4-nitrophenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C13H14N6O3S MolecularWeight: 334.35366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O3S/c1-2-18-11(12(14)20)10(7-15-18)17-13(23)16-8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3,(H2,14,20)(H2,16,17,23)