N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide

Systemtic Name: N-[(4S)-6-fluoranyl-3,4-dihydro-2H-thiochromen-4-yl]-6-oxidanylidene-1-(2-phenoxyethyl)pyridazine-3-carboxamide Openeye Name: N-[(4S)-6-fluorothiochroman-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide CAS Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-1-benzothiopyran-4-yl]-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxamide IUPAC Name: N-[(4S)-6-fluoro-3,4-dihydro-2H-thiochromen-4-yl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide Traditional Name: N-[(4S)-6-fluorothiochroman-4-yl]-6-keto-1-(2-phenoxyethyl)pyridazine-3-carboxamide Formula: C22H20FN3O3S MolecularWeight: 425.475903

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C1NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4)C=C(C=C2)F

Isomeric SMILES

C1CSC2=C([C@H]1NC(=O)C3=NN(C(=O)C=C3)CCOC4=CC=CC=C4)C=C(C=C2)F

InChI

InChI=1S/C22H20FN3O3S/c23-15-6-8-20-17(14-15)18(10-13-30-20)24-22(28)19-7-9-21(27)26(25-19)11-12-29-16-4-2-1-3-5-16/h1-9,14,18H,10-13H2,(H,24,28)/t18-/m0/s1