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

Systemtic Name: 2-azanyl-6-phenacylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-isopropylphenyl)-6-phenacylsulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-(phenacylthio)-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-phenacylsulfanyl-4-(4-propan-2-ylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-4-p-cumenyl-6-(phenacylthio)pyridin-1-ium-3,5-dicarbonitrile Formula: C24H21N4OS+ MolecularWeight: 413.51474

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)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SCC(=O)C3=CC=CC=C3)N)C#N

InChI

InChI=1S/C24H20N4OS/c1-15(2)16-8-10-18(11-9-16)22-19(12-25)23(27)28-24(20(22)13-26)30-14-21(29)17-6-4-3-5-7-17/h3-11,15H,14H2,1-2H3,(H2,27,28)/p+1