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

Systemtic Name: N-tert-butyl-2-[4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C21H31N7OS MolecularWeight: 429.58214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCN(CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C21H31N7OS/c1-21(2,3)23-18(29)14-25-10-12-26(13-11-25)15-27-20(30)28(17-4-5-17)19(24-27)16-6-8-22-9-7-16/h6-9,17H,4-5,10-15H2,1-3H3,(H,23,29)