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

Systemtic Name: 2-methyl-3-(2-nitro-1-benzothiophen-3-yl)-4,5-dihydro-1,3-thiazol-3-ium Openeye Name: 2-methyl-3-(2-nitrobenzothiophen-3-yl)-4,5-dihydrothiazol-3-ium CAS Name: 2-methyl-3-(2-nitro-1-benzothiophen-3-yl)-4,5-dihydrothiazol-3-ium IUPAC Name: 2-methyl-3-(2-nitro-1-benzothiophen-3-yl)-4,5-dihydro-1,3-thiazol-3-ium Traditional Name: 2-methyl-3-(2-nitrobenzothiophen-3-yl)-2-thiazolin-3-ium Formula: C12H11N2O2S2+ MolecularWeight: 279.35794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](CCS1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=[N+](CCS1)C2=C(SC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C12H11N2O2S2/c1-8-13(6-7-17-8)11-9-4-2-3-5-10(9)18-12(11)14(15)16/h2-5H,6-7H2,1H3/q+1