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

Systemtic Name: 5-cyclohexylidene-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: 5-cyclohexylidene-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: 5-cyclohexylidene-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: 5-cyclohexylidene-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: 5-cyclohexylidene-3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-thiazolin-3-ium-4-one tosylate Formula: C28H32N2O4S3 MolecularWeight: 556.75968

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C(=O)C(=C4CCCCC4)S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C(=O)C(=C4CCCCC4)S3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C21H25N2OS2.C7H8O3S/c1-3-22-16-12-8-9-13-17(16)25-18(22)14-19-23(4-2)21(24)20(26-19)15-10-6-5-7-11-15;1-6-2-4-7(5-3-6)11(8,9)10/h8-9,12-14H,3-7,10-11H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1