N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-(5-methylpyrazol-1-yl)benzamide

Systemtic Name: N-[(4S)-8-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-4-(5-methylpyrazol-1-yl)benzamide Openeye Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-(5-methylpyrazol-1-yl)benzamide CAS Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-(5-methyl-1-pyrazolyl)benzamide IUPAC Name: N-[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-4-(5-methylpyrazol-1-yl)benzamide Traditional Name: N-[(4S)-8-fluorothiochroman-4-yl]-4-(5-methylpyrazol-1-yl)benzamide Formula: C20H18FN3OS MolecularWeight: 367.439823

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NN1C2=CC=C(C=C2)C(=O)NC3CCSC4=C3C=CC=C4F

Isomeric SMILES

CC1=CC=NN1C2=CC=C(C=C2)C(=O)N[C@H]3CCSC4=C3C=CC=C4F

InChI

InChI=1S/C20H18FN3OS/c1-13-9-11-22-24(13)15-7-5-14(6-8-15)20(25)23-18-10-12-26-19-16(18)3-2-4-17(19)21/h2-9,11,18H,10,12H2,1H3,(H,23,25)/t18-/m0/s1