1-methyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide

Systemtic Name: 1-methyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-methyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-methyl-4-[[(4-nitroanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-methyl-4-[(4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-methyl-4-[(4-nitrophenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C(=O)N)NC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c1-17-6-9(10(16-17)11(13)19)15-12(22)14-7-2-4-8(5-3-7)18(20)21/h2-6H,1H3,(H2,13,19)(H2,14,15,22)