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

Systemtic Name: 7-azanylidene-5-(4-bromophenyl)-8-methyl-3-thiophen-2-yl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-(2-thienyl)-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-thiophen-2-yl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-thiophen-2-yl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 5-(4-bromophenyl)-7-imino-8-methyl-3-(2-thienyl)-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=CS3)C4=CC=C(C=C4)Br)C#N

Isomeric SMILES

CC1C2(C(=N)OC1(OC(C2(C#N)C#N)C3=CC=CS3)C4=CC=C(C=C4)Br)C#N

InChI

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