ethyl 3-methylsulfanyl-5-[(E)-[(2E)-2-nitroimino-3-propyl-imidazolidin-1-yl]methylideneamino]-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 3-methylsulfanyl-5-[(E)-[(2E)-2-nitroimino-3-propyl-imidazolidin-1-yl]methylideneamino]-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 3-methylsulfanyl-5-[(E)-[(2E)-2-nitroimino-3-propyl-imidazolidin-1-yl]methyleneamino]-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(methylthio)-5-[(E)-[(2E)-2-nitroimino-3-propyl-1-imidazolidinyl]methylideneamino]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methylsulfanyl-5-[(E)-[(2E)-2-nitroimino-3-propylimidazolidin-1-yl]methylideneamino]-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(methylthio)-5-[(E)-[(2E)-2-nitroimino-3-propyl-imidazolidin-1-yl]methyleneamino]-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C20H25N7O4S MolecularWeight: 459.522

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(C1=N[N+](=O)[O-])C=NC2=C(C(=NN2C3=CC=CC=C3)SC)C(=O)OCC

Isomeric SMILES

CCCN\1CCN(/C1=N/[N+](=O)[O-])/C=N/C2=C(C(=NN2C3=CC=CC=C3)SC)C(=O)OCC

InChI

InChI=1S/C20H25N7O4S/c1-4-11-24-12-13-25(20(24)23-27(29)30)14-21-17-16(19(28)31-5-2)18(32-3)22-26(17)15-9-7-6-8-10-15/h6-10,14H,4-5,11-13H2,1-3H3/b21-14+,23-20+