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

Systemtic Name: 2-azanyl-6-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-[(3R)-3-(2-furyl)-5-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-[(3R)-3-(2-furanyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-[(3R)-3-(furan-2-yl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-[(5R)-5-(2-furyl)-3-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C20H15N6O2S2+ MolecularWeight: 435.5021

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CS2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)C4=CC=CO4

Isomeric SMILES

C1[C@@H](N(N=C1C2=CC=CS2)C(=O)CSC3=C(C=C(C(=[NH+]3)N)C#N)C#N)C4=CC=CO4

InChI

InChI=1S/C20H14N6O2S2/c21-9-12-7-13(10-22)20(24-19(12)23)30-11-18(27)26-15(16-3-1-5-28-16)8-14(25-26)17-4-2-6-29-17/h1-7,15H,8,11H2,(H2,23,24)/p+1/t15-/m1/s1