3-azanylidene-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile

Systemtic Name: 3-azanylidene-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Openeye Name: 3-imino-1,7-dimethyl-5-(2-thienyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile CAS Name: 3-imino-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile IUPAC Name: 3-imino-1,7-dimethyl-5-thiophen-2-yl-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Traditional Name: 3-imino-1,7-dimethyl-5-(2-thienyl)-2,6-dioxabicyclo[2.2.2]octane-4,8,8-tricarbonitrile Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CS3)C

Isomeric SMILES

CC1C2(OC(C(C1(C#N)C#N)(C(=N)O2)C#N)C3=CC=CS3)C

InChI

InChI=1S/C15H12N4O2S/c1-9-13(2)20-11(10-4-3-5-22-10)15(8-18,12(19)21-13)14(9,6-16)7-17/h3-5,9,11,19H,1-2H3