2-azanyl-4-(4-ethoxyphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-6-phenacylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(phenacylthio)-4-p-phenetyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C23H19N4O2S+ MolecularWeight: 415.48756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C23H18N4O2S/c1-2-29-17-10-8-16(9-11-17)21-18(12-24)22(26)27-23(19(21)13-25)30-14-20(28)15-6-4-3-5-7-15/h3-11H,2,14H2,1H3,(H2,26,27)/p+1