ethyl 4-(3-cyano-6-methyl-4-methylsulfanyl-5-nitro-pyridin-2-yl)piperazine-1-carboxylate

Systemtic Name: ethyl 4-(3-cyano-6-methyl-4-methylsulfanyl-5-nitro-pyridin-2-yl)piperazine-1-carboxylate Openeye Name: ethyl 4-(3-cyano-6-methyl-4-methylsulfanyl-5-nitro-2-pyridyl)piperazine-1-carboxylate CAS Name: 4-[3-cyano-6-methyl-4-(methylthio)-5-nitro-2-pyridinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-6-methyl-4-methylsulfanyl-5-nitropyridin-2-yl)piperazine-1-carboxylate Traditional Name: 4-[3-cyano-6-methyl-4-(methylthio)-5-nitro-2-pyridyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H19N5O4S MolecularWeight: 365.40746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=C2C#N)SC)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=NC(=C(C(=C2C#N)SC)[N+](=O)[O-])C

InChI

InChI=1S/C15H19N5O4S/c1-4-24-15(21)19-7-5-18(6-8-19)14-11(9-16)13(25-3)12(20(22)23)10(2)17-14/h4-8H2,1-3H3