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

Systemtic Name: 7-azanylidene-8-methyl-3-(3-methylthiophen-2-yl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Openeye Name: 7-imino-8-methyl-3-(3-methyl-2-thienyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile CAS Name: 7-imino-8-methyl-3-(3-methyl-2-thiophenyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile IUPAC Name: 7-imino-8-methyl-3-(3-methylthiophen-2-yl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Traditional Name: 7-imino-8-methyl-3-(3-methyl-2-thienyl)-5-phenyl-4,6-dioxabicyclo[3.2.1]octane-1,2,2-tricarbonitrile Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N4O2S/c1-13-8-9-28-16(13)17-19(10-22,11-23)20(12-24)14(2)21(26-17,27-18(20)25)15-6-4-3-5-7-15/h3-9,14,17,25H,1-2H3