4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide

Systemtic Name: 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide Openeye Name: 4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]-1-methyl-pyrazole-3-carboxamide CAS Name: 4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]-1-methyl-3-pyrazolecarboxamide IUPAC Name: 4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]-1-methylpyrazole-3-carboxamide Traditional Name: 4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]-1-methyl-pyrazole-3-carboxamide Formula: C13H14N6O4S MolecularWeight: 350.35306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N6O4S/c1-18-6-9(11(17-18)12(14)20)16-13(24)15-8-4-3-7(19(21)22)5-10(8)23-2/h3-6H,1-2H3,(H2,14,20)(H2,15,16,24)