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

Systemtic Name: 2-azanyl-6-[[(4R)-3-methyl-5-oxidanylidene-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]thio]-4-phenylpyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[[(4R)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-phenylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(4R)-5-keto-3-methyl-1-phenyl-2-pyrazolin-4-yl]thio]-4-phenyl-pyridin-1-ium-3,5-dicarbonitrile Formula: C23H17N6OS+ MolecularWeight: 425.48568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1SC2=C(C(=C(C(=[NH+]2)N)C#N)C3=CC=CC=C3)C#N)C4=CC=CC=C4

InChI

InChI=1S/C23H16N6OS/c1-14-20(23(30)29(28-14)16-10-6-3-7-11-16)31-22-18(13-25)19(15-8-4-2-5-9-15)17(12-24)21(26)27-22/h2-11,20H,1H3,(H2,26,27)/p+1/t20-/m1/s1