8-morpholin-4-yl-6-(phenylmethylsulfanyl)-3-propan-2-yl-3,4-dihydro-1H-isochromene-5-carbonitrile

Systemtic Name: 8-morpholin-4-yl-6-(phenylmethylsulfanyl)-3-propan-2-yl-3,4-dihydro-1H-isochromene-5-carbonitrile Openeye Name: 6-benzylsulfanyl-3-isopropyl-8-morpholino-isochromane-5-carbonitrile CAS Name: 8-(4-morpholinyl)-6-(phenylmethylthio)-3-propan-2-yl-3,4-dihydro-1H-2-benzopyran-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-8-morpholin-4-yl-3-propan-2-yl-3,4-dihydro-1H-isochromene-5-carbonitrile Traditional Name: 6-(benzylthio)-3-isopropyl-8-morpholino-isochroman-5-carbonitrile Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC2=C(CO1)C(=CC(=C2C#N)SCC3=CC=CC=C3)N4CCOCC4

Isomeric SMILES

CC(C)C1CC2=C(CO1)C(=CC(=C2C#N)SCC3=CC=CC=C3)N4CCOCC4

InChI

InChI=1S/C24H28N2O2S/c1-17(2)23-12-19-20(14-25)24(29-16-18-6-4-3-5-7-18)13-22(21(19)15-28-23)26-8-10-27-11-9-26/h3-7,13,17,23H,8-12,15-16H2,1-2H3