2-[(E)-2-cyclopropyl-2-methylsulfanyl-ethenyl]-3-ethyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E)-2-cyclopropyl-2-methylsulfanyl-ethenyl]-3-ethyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E)-2-cyclopropyl-2-methylsulfanyl-vinyl]-3-ethyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E)-2-cyclopropyl-2-(methylthio)ethenyl]-3-ethyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E)-2-cyclopropyl-2-methylsulfanylethenyl]-3-ethyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E)-2-cyclopropyl-2-(methylthio)vinyl]-3-ethyl-1,3-benzothiazol-3-ium Formula: C15H18NS2+ MolecularWeight: 276.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=CC=CC=C21)C=C(C3CC3)SC

Isomeric SMILES

CC[N+]1=C(SC2=CC=CC=C21)/C=C(\C3CC3)/SC

InChI

InChI=1S/C15H18NS2/c1-3-16-12-6-4-5-7-13(12)18-15(16)10-14(17-2)11-8-9-11/h4-7,10-11H,3,8-9H2,1-2H3/q+1/b14-10+