S-[(4-chloranyl-2-fluoranyl-5-nitro-phenyl)amino] 1,2-diazinane-1-carbothioate

Systemtic Name: S-[(4-chloranyl-2-fluoranyl-5-nitro-phenyl)amino] 1,2-diazinane-1-carbothioate Openeye Name: S-(4-chloro-2-fluoro-5-nitro-anilino) hexahydropyridazine-1-carbothioate CAS Name: 1-diazinanecarbothioic acid S-(4-chloro-2-fluoro-5-nitroanilino) ester IUPAC Name: S-(4-chloro-2-fluoro-5-nitroanilino) diazinane-1-carbothioate Traditional Name: hexahydropyridazine-1-carbothioic acid S-(4-chloro-2-fluoro-5-nitro-anilino) ester Formula: C11H12ClFN4O3S MolecularWeight: 334.754383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(NC1)C(=O)SNC2=CC(=C(C=C2F)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(NC1)C(=O)SNC2=CC(=C(C=C2F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClFN4O3S/c12-7-5-8(13)9(6-10(7)17(19)20)15-21-11(18)16-4-2-1-3-14-16/h5-6,14-15H,1-4H2