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

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-6-(2-methylprop-2-enylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-(2-methylallylsulfanyl)-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methylphenyl)-6-(2-methylprop-2-enylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methylphenyl)-6-(2-methylprop-2-enylsulfanyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(2-methylallylthio)-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C18H17N4S+ MolecularWeight: 321.41938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4S/c1-11(2)10-23-18-15(9-20)16(14(8-19)17(21)22-18)13-6-4-12(3)5-7-13/h4-7H,1,10H2,2-3H3,(H2,21,22)/p+1