2-azanyl-6-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-[(5R)-5-(4-methoxyphenyl)-3-phenyl-2-pyrazolin-1-yl]ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C25H21N6O2S+ MolecularWeight: 469.53824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=NN2C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=NN2C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)C4=CC=CC=C4

InChI

InChI=1S/C25H20N6O2S/c1-33-20-9-7-17(8-10-20)22-12-21(16-5-3-2-4-6-16)30-31(22)23(32)15-34-25-19(14-27)11-18(13-26)24(28)29-25/h2-11,22H,12,15H2,1H3,(H2,28,29)/p+1/t22-/m1/s1