N-tert-butyl-2-[4-[(4-propyl-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-propyl-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-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-propyl-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-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]acetamide Formula: C21H33N7OS MolecularWeight: 431.59802

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN(C1=S)CN2CCN(CC2)CC(=O)NC(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C21H33N7OS/c1-5-10-27-19(17-6-8-22-9-7-17)24-28(20(27)30)16-26-13-11-25(12-14-26)15-18(29)23-21(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,23,29)