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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC=C(S3)Br)C4=CC=CC=C4)C#N

Isomeric SMILES

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC=C(S3)Br)C4=CC=CC=C4)C#N

InChI

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