2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NNC(=N2)C3=CC=NC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C18H18N6O2S2/c25-15(12-28-18-20-16(21-22-18)13-3-5-19-6-4-13)23-7-9-24(10-8-23)17(26)14-2-1-11-27-14/h1-6,11H,7-10,12H2,(H,20,21,22)