N-tert-butyl-2-[4-[(4-ethyl-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-ethyl-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-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-ethyl-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-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C20H31N7OS MolecularWeight: 417.57144

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C20H31N7OS/c1-5-26-18(16-6-8-21-9-7-16)23-27(19(26)29)15-25-12-10-24(11-13-25)14-17(28)22-20(2,3)4/h6-9H,5,10-15H2,1-4H3,(H,22,28)