N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxidanylidene-3-phenyl-phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-[(4S)-thiochroman-4-yl]phthalazine-1-carboxamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-4-oxo-3-phenyl-1-phthalazinecarboxamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-4-oxo-3-phenylphthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-[(4S)-thiochroman-4-yl]phthalazine-1-carboxamide Formula: C24H19N3O2S MolecularWeight: 413.49156

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=CC=CC=C2C1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CSC2=CC=CC=C2[C@H]1NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C24H19N3O2S/c28-23(25-20-14-15-30-21-13-7-6-12-19(20)21)22-17-10-4-5-11-18(17)24(29)27(26-22)16-8-2-1-3-9-16/h1-13,20H,14-15H2,(H,25,28)/t20-/m0/s1