5-[bis(fluoranyl)methyl]-4-methyl-2-(6-methylsulfonylpyridin-3-yl)-N-(phenylmethyl)pyrazol-3-amine

Systemtic Name: 5-[bis(fluoranyl)methyl]-4-methyl-2-(6-methylsulfonylpyridin-3-yl)-N-(phenylmethyl)pyrazol-3-amine Openeye Name: N-benzyl-5-(difluoromethyl)-4-methyl-2-(6-methylsulfonyl-3-pyridyl)pyrazol-3-amine CAS Name: 5-(difluoromethyl)-4-methyl-2-(6-methylsulfonyl-3-pyridinyl)-N-(phenylmethyl)-3-pyrazolamine IUPAC Name: N-benzyl-5-(difluoromethyl)-4-methyl-2-(6-methylsulfonylpyridin-3-yl)pyrazol-3-amine Traditional Name: benzyl-[5-(difluoromethyl)-2-(6-mesyl-3-pyridyl)-4-methyl-pyrazol-3-yl]amine Formula: C18H18F2N4O2S MolecularWeight: 392.422926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1C(F)F)C2=CN=C(C=C2)S(=O)(=O)C)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N(N=C1C(F)F)C2=CN=C(C=C2)S(=O)(=O)C)NCC3=CC=CC=C3

InChI

InChI=1S/C18H18F2N4O2S/c1-12-16(17(19)20)23-24(14-8-9-15(21-11-14)27(2,25)26)18(12)22-10-13-6-4-3-5-7-13/h3-9,11,17,22H,10H2,1-2H3