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

Systemtic Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-cyclopropyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C19H21N7OS2 MolecularWeight: 427.54634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)N3CCN(CC3)C4=NC=CC=N4)C5=CC=CS5

InChI

InChI=1S/C19H21N7OS2/c27-16(24-8-10-25(11-9-24)18-20-6-2-7-21-18)13-29-19-23-22-17(15-3-1-12-28-15)26(19)14-4-5-14/h1-3,6-7,12,14H,4-5,8-11,13H2