3-ethyl-5-methoxy-2-[(E)-2-(9-methylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-ethyl-5-methoxy-2-[(E)-2-(9-methylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium Openeye Name: 3-ethyl-5-methoxy-2-[(E)-2-(9-methylcarbazol-3-yl)vinyl]-1,3-benzothiazol-3-ium CAS Name: 3-ethyl-5-methoxy-2-[(E)-2-(9-methyl-3-carbazolyl)ethenyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-ethyl-5-methoxy-2-[(E)-2-(9-methylcarbazol-3-yl)ethenyl]-1,3-benzothiazol-3-ium Traditional Name: 3-ethyl-5-methoxy-2-[(E)-2-(9-methylcarbazol-3-yl)vinyl]-1,3-benzothiazol-3-ium Formula: C25H23N2OS+ MolecularWeight: 399.52792

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(SC2=C1C=C(C=C2)OC)C=CC3=CC4=C(C=C3)N(C5=CC=CC=C54)C

Isomeric SMILES

CC[N+]1=C(SC2=C1C=C(C=C2)OC)/C=C/C3=CC4=C(C=C3)N(C5=CC=CC=C54)C

InChI

InChI=1S/C25H23N2OS/c1-4-27-23-16-18(28-3)11-13-24(23)29-25(27)14-10-17-9-12-22-20(15-17)19-7-5-6-8-21(19)26(22)2/h5-16H,4H2,1-3H3/q+1