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

Systemtic Name: ethyl 1-[[2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiazole-4-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[2-[[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-4-thiazolyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazole-4-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[2-[[[4,5-bis(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]thiazole-4-carbonyl]nipecotic acid ethyl ester Formula: C27H25Cl2N5O3S2 MolecularWeight: 602.5551

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=CC=C5Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C27H25Cl2N5O3S2/c1-2-37-26(36)17-8-7-13-33(14-17)25(35)21-15-38-23(30-21)16-39-27-32-31-24(18-9-3-4-10-19(18)28)34(27)22-12-6-5-11-20(22)29/h3-6,9-12,15,17H,2,7-8,13-14,16H2,1H3