methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate

Systemtic Name: methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate Openeye Name: methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate CAS Name: N-cyano-4-(4-nitrophenyl)-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioate Traditional Name: N-cyano-4-(4-nitrophenyl)piperazine-1-carboximidothioic acid methyl ester Formula: C13H15N5O2S MolecularWeight: 305.3555

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC(=NC#N)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O2S/c1-21-13(15-10-14)17-8-6-16(7-9-17)11-2-4-12(5-3-11)18(19)20/h2-5H,6-9H2,1H3