4-methylbenzenesulfonate; 3-methyl-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1,3-benzothiazol-2-imine

Systemtic Name: 4-methylbenzenesulfonate; 3-methyl-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1,3-benzothiazol-2-imine Openeye Name: 4-methylbenzenesulfonate; 3-methyl-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1,3-benzothiazol-2-imine CAS Name: 4-methylbenzenesulfonate; 3-methyl-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1,3-benzothiazol-2-imine IUPAC Name: 4-methylbenzenesulfonate; 3-methyl-N-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-1,3-benzothiazol-2-imine Traditional Name: (Z)-(3-methyl-1,3-benzothiazol-3-ium-2-yl)-(3-methyl-1,3-benzothiazol-2-ylidene)amine tosylate Formula: C23H21N3O3S3 MolecularWeight: 483.62614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CN1C2=CC=CC=C2SC1=NC3=[N+](C4=CC=CC=C4S3)C

Isomeric SMILES

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

InChI

InChI=1S/C16H14N3S2.C7H8O3S/c1-18-11-7-3-5-9-13(11)20-15(18)17-16-19(2)12-8-4-6-10-14(12)21-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1