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

Systemtic Name: 2-azanyl-6-phenacylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-phenacylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenacylthio)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-phenacylsulfanyl-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(phenacylthio)-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C24H21N4O4S+ MolecularWeight: 461.51294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C24H20N4O4S/c1-30-19-9-15(10-20(31-2)22(19)32-3)21-16(11-25)23(27)28-24(17(21)12-26)33-13-18(29)14-7-5-4-6-8-14/h4-10H,13H2,1-3H3,(H2,27,28)/p+1