ethyl 4-[[4-(2,6-diethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[4-(2,6-diethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[4-(2,6-diethylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[4-(2,6-diethylphenyl)-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[4-(2,6-diethylphenyl)-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[4-(2,6-diethylphenyl)-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C25H32N6O2S MolecularWeight: 480.62558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C(=O)OCC)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCN(CC3)C(=O)OCC)C4=CN=CC=C4

InChI

InChI=1S/C25H32N6O2S/c1-4-19-9-7-10-20(5-2)22(19)31-23(21-11-8-12-26-17-21)27-30(24(31)34)18-28-13-15-29(16-14-28)25(32)33-6-3/h7-12,17H,4-6,13-16,18H2,1-3H3