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

Systemtic Name: 5-chloranyl-3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium iodide Openeye Name: 5-chloro-3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium iodide CAS Name: 5-chloro-3-ethyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium iodide IUPAC Name: 5-chloro-3-ethyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium iodide Traditional Name: 5-chloro-3-ethyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium iodide Formula: C14H17ClINS2 MolecularWeight: 425.77895

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClNS2.HI/c1-4-11(17-3)9-14-16(5-2)12-8-10(15)6-7-13(12)18-14;/h6-9H,4-5H2,1-3H3;1H/q+1;/p-1/b11-9+;