2-(6-fluoranyl-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid

Systemtic Name: 2-(6-fluoranyl-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid Openeye Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid CAS Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid IUPAC Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid Traditional Name: 2-(6-fluoro-1,3-benzothiazol-2-yl)ethylamine; tosylic acid Formula: C16H17FN2O3S2 MolecularWeight: 368.446183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1F)SC(=N2)CCN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC2=C(C=C1F)SC(=N2)CCN

InChI

InChI=1S/C9H9FN2S.C7H8O3S/c10-6-1-2-7-8(5-6)13-9(12-7)3-4-11;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5H,3-4,11H2;2-5H,1H3,(H,8,9,10)