6-(1,3-benzothiazol-2-yl)-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate

Systemtic Name: 6-(1,3-benzothiazol-2-yl)-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Openeye Name: 6-(1,3-benzothiazol-2-yl)-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate CAS Name: 6-(1,3-benzothiazol-2-yl)-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate IUPAC Name: 6-(1,3-benzothiazol-2-yl)-2,3-dimethyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonate Traditional Name: 6-(1,3-benzothiazol-2-yl)-2,3-dimethyl-2H-1,3-benzothiazole tosylate Formula: C23H21N2O3S3- MolecularWeight: 469.61944

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Descriptors Computed from Structure

Canonical SMILES:

CC1N(C2=C(S1)C=C(C=C2)C3=NC4=CC=CC=C4S3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC1N(C2=C(S1)C=C(C=C2)C3=NC4=CC=CC=C4S3)C.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14N2S2.C7H8O3S/c1-10-18(2)13-8-7-11(9-15(13)19-10)16-17-12-5-3-4-6-14(12)20-16;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/p-1