1-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-4,5-dihydroimidazol-1-yl]propan-2-one; 4-methylbenzenesulfonic acid

Systemtic Name: 1-[2-[(3-fluoranyl-4-methyl-phenyl)amino]-4,5-dihydroimidazol-1-yl]propan-2-one; 4-methylbenzenesulfonic acid Openeye Name: 1-[2-(3-fluoro-4-methyl-anilino)-4,5-dihydroimidazol-1-yl]propan-2-one; 4-methylbenzenesulfonic acid CAS Name: 1-[2-(3-fluoro-4-methylanilino)-4,5-dihydroimidazol-1-yl]-2-propanone; 4-methylbenzenesulfonic acid IUPAC Name: 1-[2-(3-fluoro-4-methylanilino)-4,5-dihydroimidazol-1-yl]propan-2-one; 4-methylbenzenesulfonic acid Traditional Name: 1-[2-(3-fluoro-4-methyl-anilino)-2-imidazolin-1-yl]acetone; tosylic acid Formula: C20H24FN3O4S MolecularWeight: 421.485663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C=C(C=C1)NC2=NCCN2CC(=O)C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=C(C=C(C=C1)NC2=NCCN2CC(=O)C)F

InChI

InChI=1S/C13H16FN3O.C7H8O3S/c1-9-3-4-11(7-12(9)14)16-13-15-5-6-17(13)8-10(2)18;1-6-2-4-7(5-3-6)11(8,9)10/h3-4,7H,5-6,8H2,1-2H3,(H,15,16);2-5H,1H3,(H,8,9,10)