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

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

Systemtic Name:3-ethyl-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium
Openeye Name:3-ethyl-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium
CAS Name:3-ethyl-5-methyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium
IUPAC Name:3-ethyl-5-methyl-2-[(E)-2-methylsulfanylbut-1-enyl]-1,3-benzothiazol-3-ium
Traditional Name:3-ethyl-5-methyl-2-[(E)-2-(methylthio)but-1-enyl]-1,3-benzothiazol-3-ium
Formula: C15H20NS2+
MolecularWeight: 278.456
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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=[N+](C2=C(S1)C=CC(=C2)C)CC)SC


Isomeric SMILES

CC/C(=C\C1=[N+](C2=C(S1)C=CC(=C2)C)CC)/SC


InChI

InChI=1S/C15H20NS2/c1-5-12(17-4)10-15-16(6-2)13-9-11(3)7-8-14(13)18-15/h7-10H,5-6H2,1-4H3/q+1/b12-10+


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