2-azanyl-6-hexylsulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-hexylsulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-hexylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(hexylthio)-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-hexylsulfanyl-4-(4-phenylmethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-(hexylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCCCCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C26H26N4OS/c1-2-3-4-8-15-32-26-23(17-28)24(22(16-27)25(29)30-26)20-11-13-21(14-12-20)31-18-19-9-6-5-7-10-19/h5-7,9-14H,2-4,8,15,18H2,1H3,(H2,29,30)/p+1