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

Systemtic Name: 2-azanyl-4-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-ethyl-6-(o-tolylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-ethyl-6-[(2-methylphenyl)methylthio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-ethyl-6-[(2-methylphenyl)methylsulfanyl]pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-ethyl-6-[(2-methylbenzyl)thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C17H17N4S+ MolecularWeight: 309.40868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=[NH+]C(=C1C#N)SCC2=CC=CC=C2C)N)C#N

Isomeric SMILES

CCC1=C(C(=[NH+]C(=C1C#N)SCC2=CC=CC=C2C)N)C#N

InChI

InChI=1S/C17H16N4S/c1-3-13-14(8-18)16(20)21-17(15(13)9-19)22-10-12-7-5-4-6-11(12)2/h4-7H,3,10H2,1-2H3,(H2,20,21)/p+1