3-ethyl-4-methyl-N-(4-nitrophenyl)-1,3-thiazol-3-ium-2-carbothioamide

Systemtic Name: 3-ethyl-4-methyl-N-(4-nitrophenyl)-1,3-thiazol-3-ium-2-carbothioamide Openeye Name: 3-ethyl-4-methyl-N-(4-nitrophenyl)thiazol-3-ium-2-carbothioamide CAS Name: 3-ethyl-4-methyl-N-(4-nitrophenyl)-2-thiazol-3-iumcarbothioamide IUPAC Name: 3-ethyl-4-methyl-N-(4-nitrophenyl)-1,3-thiazol-3-ium-2-carbothioamide Traditional Name: 3-ethyl-4-methyl-N-(4-nitrophenyl)thiazol-3-ium-2-carbothioamide Formula: C13H14N3O2S2+ MolecularWeight: 308.39916

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC=C1C)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[N+]1=C(SC=C1C)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O2S2/c1-3-15-9(2)8-20-13(15)12(19)14-10-4-6-11(7-5-10)16(17)18/h4-8H,3H2,1-2H3/p+1