3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-6-phenyl-1,3-benzothiazol-3-ium bromide

Systemtic Name: 3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-6-phenyl-1,3-benzothiazol-3-ium bromide Openeye Name: 3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-6-phenyl-1,3-benzothiazol-3-ium bromide CAS Name: 3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-6-phenyl-1,3-benzothiazol-3-ium bromide IUPAC Name: 3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-6-phenyl-1,3-benzothiazol-3-ium bromide Traditional Name: 3-ethyl-2-[(E,3Z)-3-(3-ethyl-1,3-benzothiazol-2-ylidene)prop-1-enyl]-6-phenyl-1,3-benzothiazol-3-ium bromide Formula: C27H25BrN2S2 MolecularWeight: 521.5348

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=CC3=[N+](C4=C(S3)C=C(C=C4)C5=CC=CC=C5)CC.[Br-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C=C\C3=[N+](C4=C(S3)C=C(C=C4)C5=CC=CC=C5)CC.[Br-]

InChI

InChI=1S/C27H25N2S2.BrH/c1-3-28-22-13-8-9-14-24(22)30-26(28)15-10-16-27-29(4-2)23-18-17-21(19-25(23)31-27)20-11-6-5-7-12-20;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1