ethyl 3-methylsulfanyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-methylsulfanyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-methylsulfanyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methyleneamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(methylthio)-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-5-[(E)-(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(methylthio)-5-[(E)-(2-nitramido-2-imidazolin-1-yl)methyleneamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C17H19N7O4S MolecularWeight: 417.44226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=CC=CC=C2)N=CN3CCN=C3N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=CC=CC=C2)/N=C/N3CCN=C3N[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O4S/c1-3-28-16(25)13-14(19-11-22-10-9-18-17(22)21-24(26)27)23(20-15(13)29-2)12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3,(H,18,21)/b19-11+