(5E)-3-ethyl-2-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate

Systemtic Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-4-methyl-thiazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-4-methyl-2-thiazolylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-4-methyl-1,3-thiazol-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: (5E)-3-ethyl-2-[(Z)-(3-ethyl-4-methyl-4-thiazolin-2-ylidene)methyl]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-2-thiazolin-3-ium-4-one tosylate Formula: C27H29N3O4S4 MolecularWeight: 587.79686

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CSC1=CC2=[N+](C(=O)C(=C3N(C4=CC=CC=C4S3)C)S2)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C(=CS/C1=C\C2=[N+](C(=O)/C(=C\3/N(C4=CC=CC=C4S3)C)/S2)CC)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C20H22N3OS3.C7H8O3S/c1-5-22-13(3)12-25-16(22)11-17-23(6-2)19(24)18(27-17)20-21(4)14-9-7-8-10-15(14)26-20;1-6-2-4-7(5-3-6)11(8,9)10/h7-12H,5-6H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b20-18+;