3,3-dimethyl-8-morpholin-4-yl-6-(phenylmethylsulfanyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile

Systemtic Name: 3,3-dimethyl-8-morpholin-4-yl-6-(phenylmethylsulfanyl)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Openeye Name: 6-benzylsulfanyl-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile CAS Name: 3,3-dimethyl-8-(4-morpholinyl)-6-(phenylmethylthio)-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile IUPAC Name: 6-benzylsulfanyl-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Traditional Name: 6-(benzylthio)-3,3-dimethyl-8-morpholino-1,4-dihydrothiopyrano[3,4-c]pyridin-7-ium-5-carbonitrile Formula: C22H26N3OS2+ MolecularWeight: 412.59134

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCC4=CC=CC=C4)C#N)C

Isomeric SMILES

CC1(CC2=C(C(=[NH+]C(=C2CS1)N3CCOCC3)SCC4=CC=CC=C4)C#N)C

InChI

InChI=1S/C22H25N3OS2/c1-22(2)12-17-18(13-23)21(27-14-16-6-4-3-5-7-16)24-20(19(17)15-28-22)25-8-10-26-11-9-25/h3-7H,8-12,14-15H2,1-2H3/p+1