1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one

Systemtic Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Openeye Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one CAS Name: 1-[4-(2-pyrimidinyl)-1-piperazinyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)-1-propanone IUPAC Name: 1-(4-pyrimidin-2-ylpiperazin-1-yl)-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propan-1-one Traditional Name: 1-[4-(2-pyrimidyl)piperazino]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propan-1-one Formula: C17H19N7OS2 MolecularWeight: 401.50906

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CCN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C17H19N7OS2/c25-14(22-8-10-23(11-9-22)16-18-5-2-6-19-16)4-7-24-15(20-21-17(24)26)13-3-1-12-27-13/h1-3,5-6,12H,4,7-11H2,(H,21,26)