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

Systemtic Name: 6-azanylidene-3-(4-bromanylthiophen-2-yl)-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-bromo-2-thienyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-bromo-2-thiophenyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-bromothiophen-2-yl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-bromo-2-thienyl)-6-imino-1-methyl-8-phenyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C20H13BrN4O2S MolecularWeight: 453.31182

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(C(C(=N)O1)(C(C(O2)C3=CC(=CS3)Br)(C#N)C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

CC12C(C(C(=N)O1)(C(C(O2)C3=CC(=CS3)Br)(C#N)C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C20H13BrN4O2S/c1-18-15(12-5-3-2-4-6-12)20(11-24,17(25)27-18)19(9-22,10-23)16(26-18)14-7-13(21)8-28-14/h2-8,15-16,25H,1H3