3-ethyl-2-(2-methylsulfanylprop-1-enyl)-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-(2-methylsulfanylprop-1-enyl)-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-(2-methylsulfanylprop-1-enyl)-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[2-(methylthio)prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-(2-methylsulfanylprop-1-enyl)-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[2-(methylthio)prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C13H16NS2+ MolecularWeight: 250.40284

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C(C)SC

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)C=C(C)SC

InChI

InChI=1S/C13H16NS2/c1-4-14-11-7-5-6-8-12(11)16-13(14)9-10(2)15-3/h5-9H,4H2,1-3H3/q+1