2-azanyl-4-cyclohexyl-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-cyclohexyl-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-cyclohexyl-6-(phenylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-cyclohexylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-cyclohexyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C20H21N4S+ MolecularWeight: 349.47254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=CC=C3)N)C#N

Isomeric SMILES

C1CCC(CC1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C20H20N4S/c21-11-16-18(15-9-5-2-6-10-15)17(12-22)20(24-19(16)23)25-13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-10,13H2,(H2,23,24)/p+1