2-azanyl-6-(cyanomethylsulfanyl)-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(cyanomethylsulfanyl)-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(cyanomethylsulfanyl)-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(cyanomethylthio)-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(cyanomethylsulfanyl)-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(cyanomethylthio)-4-(2-methoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C16H12N5OS+ MolecularWeight: 322.36438

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N

Isomeric SMILES

COC1=CC=CC=C1C2=C(C(=[NH+]C(=C2C#N)SCC#N)N)C#N

InChI

InChI=1S/C16H11N5OS/c1-22-13-5-3-2-4-10(13)14-11(8-18)15(20)21-16(12(14)9-19)23-7-6-17/h2-5H,7H2,1H3,(H2,20,21)/p+1