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

Systemtic Name: ethyl 5-[(E)-[(2E)-3-butyl-2-nitroimino-imidazolidin-1-yl]methylideneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-[(2E)-3-butyl-2-nitroimino-imidazolidin-1-yl]methyleneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-[(2E)-3-butyl-2-nitroimino-1-imidazolidinyl]methylideneamino]-3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-[(2E)-3-butyl-2-nitroiminoimidazolidin-1-yl]methylideneamino]-3-methylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-[(2E)-3-butyl-2-nitroimino-imidazolidin-1-yl]methyleneamino]-3-(methylthio)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H27N7O4S MolecularWeight: 473.54858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(C1=N[N+](=O)[O-])C=NC2=C(C(=NN2C3=CC=CC=C3)SC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H27N7O4S/c1-4-6-12-25-13-14-26(21(25)24-28(30)31)15-22-18-17(20(29)32-5-2)19(33-3)23-27(18)16-10-8-7-9-11-16/h7-11,15H,4-6,12-14H2,1-3H3/b22-15+,24-21+