2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium

Systemtic Name: 2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium Openeye Name: 2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium CAS Name: 2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1-cyclohex-2-enylidene]prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium IUPAC Name: 2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium Traditional Name: 2-[(E,3E)-3-[3-[(E)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]cyclohex-2-en-1-ylidene]prop-1-enyl]-3-methyl-1,3-benzothiazol-3-ium Formula: C27H27N2S2+ MolecularWeight: 443.64668

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=CC(=CC=CC4=[N+](C5=CC=CC=C5S4)C)CCC3

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C3=C/C(=C/C=C/C4=[N+](C5=CC=CC=C5S4)C)/CCC3

InChI

InChI=1S/C27H27N2S2/c1-3-29-23-14-5-7-16-25(23)31-27(29)19-21-12-8-10-20(18-21)11-9-17-26-28(2)22-13-4-6-15-24(22)30-26/h4-7,9,11,13-19H,3,8,10,12H2,1-2H3/q+1