N-(4-ethyl-3-nitro-phenyl)-1,1-bis(oxidanylidene)thian-4-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2CCS(=O)(=O)CC2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N2O4S/c1-2-10-3-4-12(9-13(10)15(16)17)14-11-5-7-20(18,19)8-6-11/h3-4,9,11,14H,2,5-8H2,1H3