3-ethyl-2-[(E)-3-(3-ethyl-2H-1,3-benzothiazol-2-yl)prop-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-2-[(E)-3-(3-ethyl-2H-1,3-benzothiazol-2-yl)prop-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-2-[(E)-3-(3-ethyl-2H-1,3-benzothiazol-2-yl)prop-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-2-[(E)-3-(3-ethyl-2H-1,3-benzothiazol-2-yl)prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-2-[(E)-3-(3-ethyl-2H-1,3-benzothiazol-2-yl)prop-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-2-[(E)-3-(3-ethyl-2H-1,3-benzothiazol-2-yl)prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C21H23N2S2+ MolecularWeight: 367.55072

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=CC=CC=C21)CC=CC3=[N+](C4=CC=CC=C4S3)CC

Isomeric SMILES

CCN1C(SC2=CC=CC=C21)C/C=C/C3=[N+](C4=CC=CC=C4S3)CC

InChI

InChI=1S/C21H23N2S2/c1-3-22-16-10-5-7-12-18(16)24-20(22)14-9-15-21-23(4-2)17-11-6-8-13-19(17)25-21/h5-14,21H,3-4,15H2,1-2H3/q+1/b14-9+