3-[2-[5-(furan-2-yl)-3-thiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-oxidanylidene-ethyl]sulfanyl-4-propyl-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-propyl-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-propyl-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-propyl-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-propyl-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-propyl-1H-1,2,4-triazol-5-one Formula: C18H19N5O3S2 MolecularWeight: 417.50516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CS4

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)N2C(CC(=N2)C3=CC=CO3)C4=CC=CS4

InChI

InChI=1S/C18H19N5O3S2/c1-2-7-22-17(25)19-20-18(22)28-11-16(24)23-13(15-6-4-9-27-15)10-12(21-23)14-5-3-8-26-14/h3-6,8-9,13H,2,7,10-11H2,1H3,(H,19,25)