3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium Formula: C14H18NS2+ MolecularWeight: 264.42942

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=CC=CC=C2S1)CC)SC

Isomeric SMILES

CC/C(=C\C1=[N+](C2=CC=CC=C2S1)CC)/SC

InChI

InChI=1S/C14H18NS2/c1-4-11(16-3)10-14-15(5-2)12-8-6-7-9-13(12)17-14/h6-10H,4-5H2,1-3H3/q+1/b11-10+