N-[(5-fluoranyl-2-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[(5-fluoranyl-2-nitro-phenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(5-fluoro-2-nitro-phenyl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(5-fluoro-2-nitrophenyl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(5-fluoro-2-nitrophenyl)methyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-(5-fluoro-2-nitro-benzyl)amine Formula: C12H15FN2O4S MolecularWeight: 302.321903

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCC2=C(C=CC(=C2)F)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCC1NCC2=C(C=CC(=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C12H15FN2O4S/c13-10-1-2-12(15(16)17)9(7-10)8-14-11-3-5-20(18,19)6-4-11/h1-2,7,11,14H,3-6,8H2