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

Systemtic Name: 5-chloranyl-3-ethyl-2-[(E)-prop-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 5-chloro-3-ethyl-2-[(E)-prop-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 5-chloro-3-ethyl-2-[(E)-prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 5-chloro-3-ethyl-2-[(E)-prop-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 5-chloro-3-ethyl-2-[(E)-prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C12H13ClNS+ MolecularWeight: 238.75632

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)C=CC

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)Cl)/C=C/C

InChI

InChI=1S/C12H13ClNS/c1-3-5-12-14(4-2)10-8-9(13)6-7-11(10)15-12/h3,5-8H,4H2,1-2H3/q+1/b5-3+