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

Systemtic Name: 1-(6-fluoranyl-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid Openeye Name: 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid CAS Name: 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid IUPAC Name: 1-(6-fluoro-1,3-benzothiazol-2-yl)ethanamine; 4-methylbenzenesulfonic acid Traditional Name: 1-(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.CC(C1=NC2=C(S1)C=C(C=C2)F)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C1=NC2=C(S1)C=C(C=C2)F)N

InChI

InChI=1S/C9H9FN2S.C7H8O3S/c1-5(11)9-12-7-3-2-6(10)4-8(7)13-9;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,11H2,1H3;2-5H,1H3,(H,8,9,10)