(4E)-3-oxidanyl-4-(4-phenyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)-2-(4-phenyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)cyclobut-2-en-1-one

Systemtic Name: (4E)-3-oxidanyl-4-(4-phenyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)-2-(4-phenyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)cyclobut-2-en-1-one Openeye Name: (4E)-3-hydroxy-4-(4-phenyl-2-pyrrolidin-1-ium-1-ylidene-thiazol-5-ylidene)-2-(4-phenyl-2-pyrrolidin-1-yl-thiazol-5-yl)cyclobut-2-en-1-one CAS Name: (4E)-3-hydroxy-4-[4-phenyl-2-(1-pyrrolidin-1-iumylidene)-5-thiazolylidene]-2-[4-phenyl-2-(1-pyrrolidinyl)-5-thiazolyl]-1-cyclobut-2-enone IUPAC Name: (4E)-3-hydroxy-4-(4-phenyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazol-5-ylidene)-2-(4-phenyl-2-pyrrolidin-1-yl-1,3-thiazol-5-yl)cyclobut-2-en-1-one Traditional Name: (4E)-3-hydroxy-4-(4-phenyl-2-pyrrolidin-1-ium-1-ylidene-3-thiazolin-5-ylidene)-2-(4-phenyl-2-pyrrolidino-thiazol-5-yl)cyclobut-2-en-1-one Formula: C30H27N4O2S2+ MolecularWeight: 539.69098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC(=C(S2)C3=C(C(=C4C(=NC(=[N+]5CCCC5)S4)C6=CC=CC=C6)C3=O)O)C7=CC=CC=C7

Isomeric SMILES

C1CCN(C1)C2=NC(=C(S2)C3=C(/C(=C\4/C(=NC(=[N+]5CCCC5)S4)C6=CC=CC=C6)/C3=O)O)C7=CC=CC=C7

InChI

InChI=1S/C30H26N4O2S2/c35-25-21(27-23(19-11-3-1-4-12-19)31-29(37-27)33-15-7-8-16-33)26(36)22(25)28-24(20-13-5-2-6-14-20)32-30(38-28)34-17-9-10-18-34/h1-6,11-14H,7-10,15-18H2/p+1