2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Openeye Name: 1-[3,5-bis(2-thienyl)-3,4-dihydropyrazol-2-yl]-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl)ethanone Traditional Name: 1-[3,5-bis(2-thienyl)-2-pyrazolin-1-yl]-2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H19N5OS4 MolecularWeight: 497.67916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5)C6=CC=CS6

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3C(CC(=N3)C4=CC=CS4)C5=CC=CS5)C6=CC=CS6

InChI

InChI=1S/C22H19N5OS4/c28-20(13-32-22-24-23-21(19-6-3-11-31-19)26(22)14-7-8-14)27-16(18-5-2-10-30-18)12-15(25-27)17-4-1-9-29-17/h1-6,9-11,14,16H,7-8,12-13H2