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

Systemtic Name: 2-azanyl-4-(4-phenylmethoxyphenyl)-6-propylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-benzyloxyphenyl)-6-propylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-phenylmethoxyphenyl)-6-(propylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-phenylmethoxyphenyl)-6-propylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-benzoxyphenyl)-6-(propylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C23H21N4OS+ MolecularWeight: 401.50404

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H20N4OS/c1-2-12-29-23-20(14-25)21(19(13-24)22(26)27-23)17-8-10-18(11-9-17)28-15-16-6-4-3-5-7-16/h3-11H,2,12,15H2,1H3,(H2,26,27)/p+1