2-azanyl-4-(4-methylphenyl)-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-6-(phenylmethylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-benzylsulfanyl-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methylphenyl)-6-(phenylmethylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-benzylsulfanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(benzylthio)-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C21H17N4S+ MolecularWeight: 357.45148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=CC=C3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC3=CC=CC=C3)N)C#N

InChI

InChI=1S/C21H16N4S/c1-14-7-9-16(10-8-14)19-17(11-22)20(24)25-21(18(19)12-23)26-13-15-5-3-2-4-6-15/h2-10H,13H2,1H3,(H2,24,25)/p+1