N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide

Systemtic Name: N-(6-chloranyl-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Openeye Name: N-(6-chlorothiochroman-4-yl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide CAS Name: N-(6-chloro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-1-(4-fluorophenyl)-5-methyl-4-pyrazolecarboxamide IUPAC Name: N-(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide Traditional Name: N-(6-chlorothiochroman-4-yl)-1-(4-fluorophenyl)-5-methyl-pyrazole-4-carboxamide Formula: C20H17ClFN3OS MolecularWeight: 401.884883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=NN1C2=CC=C(C=C2)F)C(=O)NC3CCSC4=C3C=C(C=C4)Cl

InChI

InChI=1S/C20H17ClFN3OS/c1-12-17(11-23-25(12)15-5-3-14(22)4-6-15)20(26)24-18-8-9-27-19-7-2-13(21)10-16(18)19/h2-7,10-11,18H,8-9H2,1H3,(H,24,26)