4-[(2Z)-2-[[(5E)-5-[(2Z)-2-(1-ethylquinolin-4-ylidene)ethylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]methylidene]-4,5-diphenyl-1,3-thiazol-3-yl]butane-1-sulfonic acid

Systemtic Name: 4-[(2Z)-2-[[(5E)-5-[(2Z)-2-(1-ethylquinolin-4-ylidene)ethylidene]-4-oxidanylidene-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]methylidene]-4,5-diphenyl-1,3-thiazol-3-yl]butane-1-sulfonic acid Openeye Name: 4-[(2Z)-2-[[(5E)-3-allyl-5-[(2Z)-2-(1-ethyl-4-quinolylidene)ethylidene]-4-oxo-thiazol-3-ium-2-yl]methylene]-4,5-diphenyl-thiazol-3-yl]butane-1-sulfonic acid CAS Name: 4-[(2Z)-2-[[(5E)-5-[(2Z)-2-(1-ethyl-4-quinolinylidene)ethylidene]-4-oxo-3-prop-2-enyl-2-thiazol-3-iumyl]methylidene]-4,5-diphenyl-3-thiazolyl]-1-butanesulfonic acid IUPAC Name: 4-[(2Z)-2-[[(5E)-5-[(2Z)-2-(1-ethylquinolin-4-ylidene)ethylidene]-4-oxo-3-prop-2-enyl-1,3-thiazol-3-ium-2-yl]methylidene]-4,5-diphenyl-1,3-thiazol-3-yl]butane-1-sulfonic acid Traditional Name: 4-[(2Z)-2-[[(5E)-3-allyl-5-[(2Z)-2-(1-ethyl-4-quinolylidene)ethylidene]-4-keto-2-thiazolin-3-ium-2-yl]methylene]-4,5-diphenyl-4-thiazolin-3-yl]butane-1-sulfonic acid Formula: C39H38N3O4S3+ MolecularWeight: 708.93172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=CC=C2C(=O)[N+](=C(S2)C=C3N(C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CCCCS(=O)(=O)O)CC=C)C6=CC=CC=C61

Isomeric SMILES

CCN1C=C/C(=C/C=C/2\C(=O)[N+](=C(S2)/C=C\3/N(C(=C(S3)C4=CC=CC=C4)C5=CC=CC=C5)CCCCS(=O)(=O)O)CC=C)/C6=CC=CC=C61

InChI

InChI=1S/C39H37N3O4S3/c1-3-24-42-36(47-34(39(42)43)22-21-29-23-26-40(4-2)33-20-12-11-19-32(29)33)28-35-41(25-13-14-27-49(44,45)46)37(30-15-7-5-8-16-30)38(48-35)31-17-9-6-10-18-31/h3,5-12,15-23,26,28H,1,4,13-14,24-25,27H2,2H3/p+1/b29-21-,34-22+