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

Systemtic Name: 1-ethyl-4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]pyrazole-3-carboxamide Openeye Name: 1-ethyl-4-[(2-methoxy-4-nitro-phenyl)carbamothioylamino]pyrazole-3-carboxamide CAS Name: 1-ethyl-4-[[(2-methoxy-4-nitroanilino)-sulfanylidenemethyl]amino]-3-pyrazolecarboxamide IUPAC Name: 1-ethyl-4-[(2-methoxy-4-nitrophenyl)carbamothioylamino]pyrazole-3-carboxamide Traditional Name: 1-ethyl-4-[(2-methoxy-4-nitro-phenyl)thiocarbamoylamino]pyrazole-3-carboxamide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N6O4S/c1-3-19-7-10(12(18-19)13(15)21)17-14(25)16-9-5-4-8(20(22)23)6-11(9)24-2/h4-7H,3H2,1-2H3,(H2,15,21)(H2,16,17,25)