2-azanyl-6-[[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]thio]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]thio]-4-(p-tolyl)pyridin-1-ium-3,5-dicarbonitrile Formula: C24H19N6OS+ MolecularWeight: 439.51226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)SC3C(=NN(C3=O)C4=CC=CC=C4)C)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=[NH+]C(=C2C#N)S[C@@H]3C(=NN(C3=O)C4=CC=CC=C4)C)N)C#N

InChI

InChI=1S/C24H18N6OS/c1-14-8-10-16(11-9-14)20-18(12-25)22(27)28-23(19(20)13-26)32-21-15(2)29-30(24(21)31)17-6-4-3-5-7-17/h3-11,21H,1-2H3,(H2,27,28)/p+1/t21-/m1/s1