3-ethyl-5-fluoranyl-2-methyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid

Systemtic Name: 3-ethyl-5-fluoranyl-2-methyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid Openeye Name: 3-ethyl-5-fluoro-2-methyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid CAS Name: 3-ethyl-5-fluoro-2-methyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid IUPAC Name: 3-ethyl-5-fluoro-2-methyl-2H-1,3-benzothiazole; 4-methylbenzenesulfonic acid Traditional Name: 3-ethyl-5-fluoro-2-methyl-2H-1,3-benzothiazole; tosylic acid Formula: C17H20FNO3S2 MolecularWeight: 369.474003

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(SC2=C1C=C(C=C2)F)C.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCN1C(SC2=C1C=C(C=C2)F)C.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C10H12FNS.C7H8O3S/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)