3-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-[5-(2-furyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-[5-(2-furanyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-[3-(2-furyl)-5-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CO2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

C1C(N(N=C1C2=CC=CO2)C(=O)CSC3=NNC(=O)N3CCC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C23H21N5O3S2/c29-21(15-33-23-25-24-22(30)27(23)11-10-16-6-2-1-3-7-16)28-18(20-9-5-13-32-20)14-17(26-28)19-8-4-12-31-19/h1-9,12-13,18H,10-11,14-15H2,(H,24,30)