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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C2C(C3(C(C(O2)(OC3=N)C)C4=CC=CC=C4)C#N)(C#N)C#N

Isomeric SMILES

CC1=C(SC=C1)C2C(C3(C(C(O2)(OC3=N)C)C4=CC=CC=C4)C#N)(C#N)C#N

InChI

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