3-[4-ethyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-ethyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-ethyl-1-[[4-(2-pyridyl)piperazin-1-yl]methyl]-5-thioxo-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-ethyl-1-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-ethyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-ethyl-1-[[4-(2-pyridyl)piperazino]methyl]-5-thioxo-1,2,4-triazol-3-yl]propionamide Formula: C17H25N7OS MolecularWeight: 375.4917

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=N3)CCC(=O)N

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCN(CC2)C3=CC=CC=N3)CCC(=O)N

InChI

InChI=1S/C17H25N7OS/c1-2-23-16(7-6-14(18)25)20-24(17(23)26)13-21-9-11-22(12-10-21)15-5-3-4-8-19-15/h3-5,8H,2,6-7,9-13H2,1H3,(H2,18,25)