N-[1-(3-nitrophenyl)ethyl]-1,1-bis(oxidanylidene)thian-4-amine

Systemtic Name: N-[1-(3-nitrophenyl)ethyl]-1,1-bis(oxidanylidene)thian-4-amine Openeye Name: N-[1-(3-nitrophenyl)ethyl]-1,1-dioxo-thian-4-amine CAS Name: N-[1-(3-nitrophenyl)ethyl]-1,1-dioxo-4-thianamine IUPAC Name: N-[1-(3-nitrophenyl)ethyl]-1,1-dioxothian-4-amine Traditional Name: (1,1-diketothian-4-yl)-[1-(3-nitrophenyl)ethyl]amine Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2CCS(=O)(=O)CC2

Isomeric SMILES

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2CCS(=O)(=O)CC2

InChI

InChI=1S/C13H18N2O4S/c1-10(11-3-2-4-13(9-11)15(16)17)14-12-5-7-20(18,19)8-6-12/h2-4,9-10,12,14H,5-8H2,1H3