N-[(2-nitrophenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[(2-nitrophenyl)methyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[(2-nitrophenyl)methyl]-1,1-dioxo-thian-4-amine CAS Name: N-[(2-nitrophenyl)methyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[(2-nitrophenyl)methyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-(2-nitrobenzyl)amine Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4S/c15-14(16)12-4-2-1-3-10(12)9-13-11-5-7-19(17,18)8-6-11/h1-4,11,13H,5-9H2