2-azanyl-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-6-methylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(methylthio)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-methylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-(methylthio)-4-p-cumenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C17H17N4S+ MolecularWeight: 309.40868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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