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

Systemtic Name: N-[2-(4-nitrophenyl)ethyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[2-(4-nitrophenyl)ethyl]-1,1-dioxo-thian-4-amine CAS Name: N-[2-(4-nitrophenyl)ethyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[2-(4-nitrophenyl)ethyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[2-(4-nitrophenyl)ethyl]amine Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1NCCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CS(=O)(=O)CCC1NCCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c16-15(17)13-3-1-11(2-4-13)5-8-14-12-6-9-20(18,19)10-7-12/h1-4,12,14H,5-10H2