3-[bis(fluoranyl)methyl]-5-(7-methyl-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-benzenesulfonamide

Systemtic Name: 3-[bis(fluoranyl)methyl]-5-(7-methyl-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-benzenesulfonamide Openeye Name: 3-(difluoromethyl)-5-(7-methyl-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-benzenesulfonamide CAS Name: 3-(difluoromethyl)-5-(7-methyl-1,3-benzothiazol-2-yl)-2-(1-pyrazolyl)benzenesulfonamide IUPAC Name: 3-(difluoromethyl)-5-(7-methyl-1,3-benzothiazol-2-yl)-2-pyrazol-1-ylbenzenesulfonamide Traditional Name: 3-(difluoromethyl)-5-(7-methyl-1,3-benzothiazol-2-yl)-2-pyrazol-1-yl-benzenesulfonamide Formula: C18H14F2N4O2S2 MolecularWeight: 420.456166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(S2)C3=CC(=C(C(=C3)S(=O)(=O)N)N4C=CC=N4)C(F)F

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(S2)C3=CC(=C(C(=C3)S(=O)(=O)N)N4C=CC=N4)C(F)F

InChI

InChI=1S/C18H14F2N4O2S2/c1-10-4-2-5-13-16(10)27-18(23-13)11-8-12(17(19)20)15(24-7-3-6-22-24)14(9-11)28(21,25)26/h2-9,17H,1H3,(H2,21,25,26)