N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Openeye Name: 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-[(4S)-thiochroman-4-yl]butanamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide Traditional Name: 4-keto-4-(3-phenyl-2-pyrazolin-1-yl)-N-[(4S)-thiochroman-4-yl]butyramide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)CCC(=O)N3CCC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c26-21(23-19-13-15-28-20-9-5-4-8-17(19)20)10-11-22(27)25-14-12-18(24-25)16-6-2-1-3-7-16/h1-9,19H,10-15H2,(H,23,26)/t19-/m0/s1