5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-4-carboxamide

Systemtic Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-4-carboxamide Openeye Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-fluorothiochroman-4-yl)-1H-pyrazole-4-carboxamide CAS Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1H-pyrazole-4-carboxamide IUPAC Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrazole-4-carboxamide Traditional Name: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(6-fluorothiochroman-4-yl)-1H-pyrazole-4-carboxamide Formula: C21H18FN3O3S MolecularWeight: 411.449323

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=C(NN=C3)C4=CC5=C(C=C4)OCCO5)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)C3=C(NN=C3)C4=CC5=C(C=C4)OCCO5)C=C(C=C2)F

InChI

InChI=1S/C21H18FN3O3S/c22-13-2-4-19-14(10-13)16(5-8-29-19)24-21(26)15-11-23-25-20(15)12-1-3-17-18(9-12)28-7-6-27-17/h1-4,9-11,16H,5-8H2,(H,23,25)(H,24,26)