3-(6-chloranylpyrazin-2-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile

Systemtic Name: 3-(6-chloranylpyrazin-2-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile Openeye Name: 3-(6-chloropyrazin-2-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile CAS Name: 3-(6-chloro-2-pyrazinyl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile IUPAC Name: 3-(6-chloropyrazin-2-yl)-6-(4-methanethioylphenoxy)-8-methyl-8-azabicyclo[3.2.1]octane-3-carbonitrile Traditional Name: 3-(6-chloropyrazin-2-yl)-8-methyl-6-(4-thioformylphenoxy)-8-azabicyclo[3.2.1]octane-3-carbonitrile Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CC(C1CC(C2)(C#N)C3=CN=CC(=N3)Cl)OC4=CC=C(C=C4)C=S

Isomeric SMILES

CN1C2CC(C1CC(C2)(C#N)C3=CN=CC(=N3)Cl)OC4=CC=C(C=C4)C=S

InChI

InChI=1S/C20H19ClN4OS/c1-25-14-6-17(26-15-4-2-13(11-27)3-5-15)16(25)8-20(7-14,12-22)18-9-23-10-19(21)24-18/h2-5,9-11,14,16-17H,6-8H2,1H3