4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole

Systemtic Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole Openeye Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole CAS Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole IUPAC Name: 4-methylbenzenesulfonate; (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylidene]-1,3-benzothiazole Traditional Name: (2Z)-3-methyl-2-[(3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene]-1,3-benzothiazole tosylate Formula: C24H22N2O3S3 MolecularWeight: 482.63808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=CC3=[N+](C4=CC=CC=C4S3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN\1C2=CC=CC=C2S/C1=C\C3=[N+](C4=CC=CC=C4S3)C

InChI

InChI=1S/C17H15N2S2.C7H8O3S/c1-18-12-7-3-5-9-14(12)20-16(18)11-17-19(2)13-8-4-6-10-15(13)21-17;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1