ethyl 4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-propyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-propyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H26N6O2S MolecularWeight: 390.50304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N6O2S/c1-3-9-23-16(15-5-7-19-8-6-15)20-24(17(23)27)14-21-10-12-22(13-11-21)18(25)26-4-2/h5-8H,3-4,9-14H2,1-2H3