4-azanyl-2-[2-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile

Systemtic Name: 4-azanyl-2-[2-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carbonitrile Openeye Name: 4-amino-2-[2-[5-(benzofuran-2-yl)-3-(2-furyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carbonitrile CAS Name: 4-amino-2-[[2-[5-(2-benzofuranyl)-3-(2-furanyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-5-pyrimidinecarbonitrile IUPAC Name: 4-amino-2-[2-[5-(1-benzofuran-2-yl)-3-(furan-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanylpyrimidine-5-carbonitrile Traditional Name: 4-amino-2-[[2-[3-(benzofuran-2-yl)-5-(2-furyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]pyrimidine-5-carbonitrile Formula: C22H16N6O3S MolecularWeight: 444.46584

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=O)CSC4=NC=C(C(=N4)N)C#N)C5=CC=CO5

Isomeric SMILES

C1C(N(N=C1C2=CC3=CC=CC=C3O2)C(=O)CSC4=NC=C(C(=N4)N)C#N)C5=CC=CO5

InChI

InChI=1S/C22H16N6O3S/c23-10-14-11-25-22(26-21(14)24)32-12-20(29)28-16(18-6-3-7-30-18)9-15(27-28)19-8-13-4-1-2-5-17(13)31-19/h1-8,11,16H,9,12H2,(H2,24,25,26)