2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[[4-cyclopropyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(2-pyridyl)piperazin-1-yl]ethanone CAS Name: 2-[[4-cyclopropyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-[4-(2-pyridinyl)-1-piperazinyl]ethanone IUPAC Name: 2-[(4-cyclopropyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-[(4-cyclopropyl-5-piperidino-1,2,4-triazol-3-yl)thio]-1-[4-(2-pyridyl)piperazino]ethanone Formula: C21H29N7OS MolecularWeight: 427.56626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3CC3)SCC(=O)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C21H29N7OS/c29-19(26-14-12-25(13-15-26)18-6-2-3-9-22-18)16-30-21-24-23-20(28(21)17-7-8-17)27-10-4-1-5-11-27/h2-3,6,9,17H,1,4-5,7-8,10-16H2