N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide

Systemtic Name: N-(6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide Openeye Name: N-(6-fluorothiochroman-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide CAS Name: N-(6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(1-phenyl-4-pyrazolyl)propanamide IUPAC Name: N-(6-fluoro-3,4-dihydro-2H-thiochromen-4-yl)-3-(1-phenylpyrazol-4-yl)propanamide Traditional Name: N-(6-fluorothiochroman-4-yl)-3-(1-phenylpyrazol-4-yl)propionamide Formula: C21H20FN3OS MolecularWeight: 381.466403

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C(C1NC(=O)CCC3=CN(N=C3)C4=CC=CC=C4)C=C(C=C2)F

InChI

InChI=1S/C21H20FN3OS/c22-16-7-8-20-18(12-16)19(10-11-27-20)24-21(26)9-6-15-13-23-25(14-15)17-4-2-1-3-5-17/h1-5,7-8,12-14,19H,6,9-11H2,(H,24,26)