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

Systemtic Name: 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Openeye Name: 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]thiazol-3-ium-4-one; 4-methylbenzenesulfonate CAS Name: 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-4-thiazol-3-iumone; 4-methylbenzenesulfonate IUPAC Name: 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-1,3-thiazol-3-ium-4-one; 4-methylbenzenesulfonate Traditional Name: 3-ethyl-2-[(Z)-(3-ethyl-1,3-benzothiazol-2-ylidene)methyl]-2-thiazolin-3-ium-4-one tosylate Formula: C22H24N2O4S3 MolecularWeight: 476.63196

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2SC1=CC3=[N+](C(=O)CS3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCN\1C2=CC=CC=C2S/C1=C\C3=[N+](C(=O)CS3)CC.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C15H17N2OS2.C7H8O3S/c1-3-16-11-7-5-6-8-12(11)20-15(16)9-14-17(4-2)13(18)10-19-14;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,3-4,10H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1