2-[4-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide

Systemtic Name: 2-[4-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-propyl-ethanamide Openeye Name: 2-[4-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-1-yl]-N-propyl-acetamide CAS Name: 2-[4-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinyl]-N-propylacetamide IUPAC Name: 2-[4-[(4-ethyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-1-yl]-N-propylacetamide Traditional Name: 2-[4-[[4-ethyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazino]-N-propyl-acetamide Formula: C19H29N7OS MolecularWeight: 403.54486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N7OS/c1-3-7-21-17(27)14-23-10-12-24(13-11-23)15-26-19(28)25(4-2)18(22-26)16-5-8-20-9-6-16/h5-6,8-9H,3-4,7,10-15H2,1-2H3,(H,21,27)