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

Systemtic Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-methyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[[4-methyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[[4-methyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C18H21N7OS2 MolecularWeight: 415.53564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=NC=CC=N3)CC4=CC=CS4

InChI

InChI=1S/C18H21N7OS2/c1-23-15(12-14-4-2-11-27-14)21-22-18(23)28-13-16(26)24-7-9-25(10-8-24)17-19-5-3-6-20-17/h2-6,11H,7-10,12-13H2,1H3