ethyl 1-[2-[[5-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[[5-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[5-(2,4-dichlorophenyl)-4-(2-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[5-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[[5-(2,4-dichlorophenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[5-(2,4-dichlorophenyl)-4-o-cumenyl-1,2,4-triazol-3-yl]thio]acetyl]isonipecotic acid ethyl ester Formula: C27H30Cl2N4O3S MolecularWeight: 561.5231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C27H30Cl2N4O3S/c1-4-36-26(35)18-11-13-32(14-12-18)24(34)16-37-27-31-30-25(21-10-9-19(28)15-22(21)29)33(27)23-8-6-5-7-20(23)17(2)3/h5-10,15,17-18H,4,11-14,16H2,1-3H3