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

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

Isomeric SMILES

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

InChI

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