2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[(1-tert-butyl-5-tetrazolyl)thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(1-tert-butyltetrazol-5-yl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C16H23N7OS MolecularWeight: 361.46512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)N2CCN(CC2)C3=CC=CC=N3

InChI

InChI=1S/C16H23N7OS/c1-16(2,3)23-15(18-19-20-23)25-12-14(24)22-10-8-21(9-11-22)13-6-4-5-7-17-13/h4-7H,8-12H2,1-3H3