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

Systemtic Name: 6-azanylidene-3-(4-bromanylthiophen-2-yl)-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Openeye Name: 3-(4-bromo-2-thienyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile CAS Name: 3-(4-bromo-2-thiophenyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile IUPAC Name: 3-(4-bromothiophen-2-yl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Traditional Name: 3-(4-bromo-2-thienyl)-6-imino-1-methyl-8-propyl-2,7-dioxabicyclo[3.2.1]octane-4,4,5-tricarbonitrile Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CS3)Br)C

Isomeric SMILES

CCCC1C2(OC(C(C1(C(=N)O2)C#N)(C#N)C#N)C3=CC(=CS3)Br)C

InChI

InChI=1S/C17H15BrN4O2S/c1-3-4-12-15(2)23-13(11-5-10(18)6-25-11)16(7-19,8-20)17(12,9-21)14(22)24-15/h5-6,12-13,22H,3-4H2,1-2H3