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

Systemtic Name: ethyl 5-[(E)-[(2E)-3-methyl-2-nitroimino-imidazolidin-1-yl]methylideneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[(E)-[(2E)-3-methyl-2-nitroimino-imidazolidin-1-yl]methyleneamino]-3-methylsulfanyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-[(E)-[(2E)-3-methyl-2-nitroimino-1-imidazolidinyl]methylideneamino]-3-(methylthio)-1-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-[(2E)-3-methyl-2-nitroiminoimidazolidin-1-yl]methylideneamino]-3-methylsulfanyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-[(E)-[(2E)-3-methyl-2-nitroimino-imidazolidin-1-yl]methyleneamino]-3-(methylthio)-1-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C18H21N7O4S MolecularWeight: 431.46884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1SC)C2=CC=CC=C2)N=CN3CCN(C3=N[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1SC)C2=CC=CC=C2)/N=C/N\3CCN(/C3=N\[N+](=O)[O-])C

InChI

InChI=1S/C18H21N7O4S/c1-4-29-17(26)14-15(19-12-23-11-10-22(2)18(23)21-25(27)28)24(20-16(14)30-3)13-8-6-5-7-9-13/h5-9,12H,4,10-11H2,1-3H3/b19-12+,21-18+