N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]acetamide Formula: C22H31N7O2S MolecularWeight: 457.59224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)C(=O)CSC2=NN=C(N2C3CC3)C4=CN=CC=C4

InChI

InChI=1S/C22H31N7O2S/c1-22(2,3)24-18(30)14-27-9-11-28(12-10-27)19(31)15-32-21-26-25-20(29(21)17-6-7-17)16-5-4-8-23-13-16/h4-5,8,13,17H,6-7,9-12,14-15H2,1-3H3,(H,24,30)