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

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-6-prop-2-enylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-allylsulfanyl-6-amino-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methylphenyl)-6-(prop-2-enylthio)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methylphenyl)-6-prop-2-enylsulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-(allylthio)-6-amino-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C17H15N4S+ MolecularWeight: 307.3928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N4S/c1-3-8-22-17-14(10-19)15(13(9-18)16(20)21-17)12-6-4-11(2)5-7-12/h3-7H,1,8H2,2H3,(H2,20,21)/p+1