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

Systemtic Name: 2-azanyl-4-(4-phenylmethoxyphenyl)-6-prop-2-enylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-allylsulfanyl-6-amino-4-(4-benzyloxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-phenylmethoxyphenyl)-6-(prop-2-enylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-phenylmethoxyphenyl)-6-prop-2-enylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-(allylthio)-6-amino-4-(4-benzoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C23H19N4OS+ MolecularWeight: 399.48816

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

Isomeric SMILES

C=CCSC1=C(C(=C(C(=[NH+]1)N)C#N)C2=CC=C(C=C2)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C23H18N4OS/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/h2-11H,1,12,15H2,(H2,26,27)/p+1