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

Systemtic Name: 2-methyl-4-[(3-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 2-methyl-4-[(3-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 2-methyl-4-[[(3-nitroanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 2-methyl-4-[(3-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 2-methyl-4-[(3-nitrophenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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