3,3-dimethyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydroisochromene-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydroisochromene-5-carbonitrile Openeye Name: 3,3-dimethyl-8-morpholino-6-[(4-nitrophenyl)methylsulfanyl]isochromane-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-[(4-nitrophenyl)methylthio]-3,4-dihydro-1H-2-benzopyran-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-[(4-nitrophenyl)methylsulfanyl]-1,4-dihydroisochromene-5-carbonitrile Traditional Name: 3,3-dimethyl-8-morpholino-6-[(4-nitrobenzyl)thio]isochroman-5-carbonitrile Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CO1)C(=CC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CC1(CC2=C(CO1)C(=CC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C23H25N3O4S/c1-23(2)12-18-19(13-24)22(31-15-16-3-5-17(6-4-16)26(27)28)11-21(20(18)14-30-23)25-7-9-29-10-8-25/h3-6,11H,7-10,12,14-15H2,1-2H3