ethyl 1-[[2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4-(2-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[[4-(2-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C26H25ClN6O3S2 MolecularWeight: 569.0981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=NC=C5

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=NC=C5

InChI

InChI=1S/C26H25ClN6O3S2/c1-2-36-25(35)18-9-13-32(14-10-18)24(34)20-15-37-22(29-20)16-38-26-31-30-23(17-7-11-28-12-8-17)33(26)21-6-4-3-5-19(21)27/h3-8,11-12,15,18H,2,9-10,13-14,16H2,1H3