3,3-dimethyl-8-morpholin-4-yl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydroisochromene-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,4-dihydroisochromene-5-carbonitrile Openeye Name: 3,3-dimethyl-8-morpholino-6-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-isochromane-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3,4-dihydro-1H-2-benzopyran-5-carbonitrile IUPAC Name: 3,3-dimethyl-8-morpholin-4-yl-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydroisochromene-5-carbonitrile Traditional Name: 6-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-3,3-dimethyl-8-morpholino-isochroman-5-carbonitrile Formula: C24H25N3O5S MolecularWeight: 467.5374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O5S/c1-24(2)12-18-19(13-25)23(11-21(20(18)14-32-24)26-7-9-31-10-8-26)33-15-22(28)16-3-5-17(6-4-16)27(29)30/h3-6,11H,7-10,12,14-15H2,1-2H3