N-[5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-tert-butyl-pyrazol-4-yl]thiomorpholine-4-carboxamide

Systemtic Name: N-[5-azanyl-1-[2,5-bis(fluoranyl)phenyl]-3-tert-butyl-pyrazol-4-yl]thiomorpholine-4-carboxamide Openeye Name: N-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]thiomorpholine-4-carboxamide CAS Name: N-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)-4-pyrazolyl]-4-thiomorpholinecarboxamide IUPAC Name: N-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]thiomorpholine-4-carboxamide Traditional Name: N-[5-amino-3-tert-butyl-1-(2,5-difluorophenyl)pyrazol-4-yl]thiomorpholine-4-carboxamide Formula: C18H23F2N5OS MolecularWeight: 395.469926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1NC(=O)N2CCSCC2)N)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1NC(=O)N2CCSCC2)N)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H23F2N5OS/c1-18(2,3)15-14(22-17(26)24-6-8-27-9-7-24)16(21)25(23-15)13-10-11(19)4-5-12(13)20/h4-5,10H,6-9,21H2,1-3H3,(H,22,26)