2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C17H18N8OS MolecularWeight: 382.44282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H18N8OS/c26-15(23-9-11-24(12-10-23)16-18-7-4-8-19-16)13-27-17-20-21-22-25(17)14-5-2-1-3-6-14/h1-8H,9-13H2