1-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzo[e][1,3]benzothiazol-1-ium iodide

Systemtic Name: 1-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzo[e][1,3]benzothiazol-1-ium iodide Openeye Name: 1-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzo[e][1,3]benzothiazol-1-ium iodide CAS Name: 1-methyl-2-[(E)-2-(methylthio)but-1-enyl]benzo[e][1,3]benzothiazol-1-ium iodide IUPAC Name: 1-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]benzo[e][1,3]benzothiazol-1-ium iodide Traditional Name: 1-methyl-2-[(E)-2-(methylthio)but-1-enyl]benzo[e][1,3]benzothiazol-1-ium iodide Formula: C17H18INS2 MolecularWeight: 427.36599

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)SC.[I-]

Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC3=CC=CC=C32)C)/SC.[I-]

InChI

InChI=1S/C17H18NS2.HI/c1-4-13(19-3)11-16-18(2)17-14-8-6-5-7-12(14)9-10-15(17)20-16;/h5-11H,4H2,1-3H3;1H/q+1;/p-1/b13-11+;