2,4,5-trimethyl-3-(2-nitro-1-benzothiophen-3-yl)-1,3-thiazol-3-ium

Systemtic Name: 2,4,5-trimethyl-3-(2-nitro-1-benzothiophen-3-yl)-1,3-thiazol-3-ium Openeye Name: 2,4,5-trimethyl-3-(2-nitrobenzothiophen-3-yl)thiazol-3-ium CAS Name: 2,4,5-trimethyl-3-(2-nitro-1-benzothiophen-3-yl)thiazol-3-ium IUPAC Name: 2,4,5-trimethyl-3-(2-nitro-1-benzothiophen-3-yl)-1,3-thiazol-3-ium Traditional Name: 2,4,5-trimethyl-3-(2-nitrobenzothiophen-3-yl)thiazol-3-ium Formula: C14H13N2O2S2+ MolecularWeight: 305.39522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=[N+]1C2=C(SC3=CC=CC=C32)[N+](=O)[O-])C)C

Isomeric SMILES

CC1=C(SC(=[N+]1C2=C(SC3=CC=CC=C32)[N+](=O)[O-])C)C

InChI

InChI=1S/C14H13N2O2S2/c1-8-9(2)19-10(3)15(8)13-11-6-4-5-7-12(11)20-14(13)16(17)18/h4-7H,1-3H3/q+1