2-azanyl-4-(4-butoxyphenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-butoxyphenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-butoxyphenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-butoxyphenyl)-6-[(4-chlorophenyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-butoxyphenyl)-6-[(4-chlorophenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-butoxyphenyl)-6-[(4-chlorobenzyl)thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C24H22ClN4OS+ MolecularWeight: 449.97568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=C(C=C3)Cl)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=C(C=C3)Cl)N)C#N

InChI

InChI=1S/C24H21ClN4OS/c1-2-3-12-30-19-10-6-17(7-11-19)22-20(13-26)23(28)29-24(21(22)14-27)31-15-16-4-8-18(25)9-5-16/h4-11H,2-3,12,15H2,1H3,(H2,28,29)/p+1