3-ethyl-2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]ethenyl]-N,N-diphenyl-1,3-benzothiazol-3-ium-4-amine

Systemtic Name: 3-ethyl-2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]ethenyl]-N,N-diphenyl-1,3-benzothiazol-3-ium-4-amine Openeye Name: 3-ethyl-2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]vinyl]-N,N-diphenyl-1,3-benzothiazol-3-ium-4-amine CAS Name: 3-ethyl-2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-1-cyclopentenyl]ethenyl]-N,N-diphenyl-1,3-benzothiazol-3-ium-4-amine IUPAC Name: 3-ethyl-2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]ethenyl]-N,N-diphenyl-1,3-benzothiazol-3-ium-4-amine Traditional Name: [3-ethyl-2-[(E)-2-[(3E)-3-[(2E)-2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]cyclopenten-1-yl]vinyl]-1,3-benzothiazol-3-ium-4-yl]-diphenyl-amine Formula: C39H36N3S2+ MolecularWeight: 610.85324

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC=C3CCC(=C3)C=CC4=[N+](C5=C(C=CC=C5S4)N(C6=CC=CC=C6)C7=CC=CC=C7)CC

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C/C=C/3\CCC(=C3)/C=C/C4=[N+](C5=C(C=CC=C5S4)N(C6=CC=CC=C6)C7=CC=CC=C7)CC

InChI

InChI=1S/C39H36N3S2/c1-3-40-33-18-11-12-20-35(33)43-37(40)26-24-29-22-23-30(28-29)25-27-38-41(4-2)39-34(19-13-21-36(39)44-38)42(31-14-7-5-8-15-31)32-16-9-6-10-17-32/h5-21,24-28H,3-4,22-23H2,1-2H3/q+1