6-azanylidene-1-methyl-3-(4-methylsulfanylphenyl)-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile

Systemtic Name: 6-azanylidene-1-methyl-3-(4-methylsulfanylphenyl)-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 6-imino-1-methyl-3-(4-methylsulfanylphenyl)-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 6-imino-1-methyl-3-[4-(methylthio)phenyl]-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 6-imino-1-methyl-3-(4-methylsulfanylphenyl)-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 6-imino-1-methyl-3-[4-(methylthio)phenyl]-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C23H18N4O2S MolecularWeight: 414.47962

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=C(C=C3)SC)(C#N)C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3=CC=C(C=C3)SC)(C#N)C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H18N4O2S/c1-21-18(15-6-4-3-5-7-15)23(14-26,20(27)29-21)22(12-24,13-25)19(28-21)16-8-10-17(30-2)11-9-16/h3-11,18-19,27H,1-2H3