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

Systemtic Name: 2-azanyl-6-(cyanomethylsulfanyl)-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(cyanomethylsulfanyl)-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(cyanomethylthio)-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(cyanomethylsulfanyl)-4-(4-ethoxyphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(cyanomethylthio)-4-p-phenetyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C17H14N5OS+ MolecularWeight: 336.39096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N5OS/c1-2-23-12-5-3-11(4-6-12)15-13(9-19)16(21)22-17(14(15)10-20)24-8-7-18/h3-6H,2,8H2,1H3,(H2,21,22)/p+1