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

Systemtic Name: 4-butyl-3-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[2-[5-(2-furyl)-3-(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[2-[5-(2-furanyl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[2-[3-(2-furyl)-5-(2-thienyl)-2-pyrazolin-1-yl]-2-keto-ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C19H21N5O3S2 MolecularWeight: 431.53174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CS4

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CS4

InChI

InChI=1S/C19H21N5O3S2/c1-2-3-8-23-18(26)20-21-19(23)29-12-17(25)24-14(16-7-5-10-28-16)11-13(22-24)15-6-4-9-27-15/h4-7,9-10,14H,2-3,8,11-12H2,1H3,(H,20,26)