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

Systemtic Name: ethyl 1-[[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazol-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiazole-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]-4-thiazolyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]thiazole-4-carbonyl]isonipecotic acid ethyl ester Formula: C22H25N5O3S2 MolecularWeight: 471.5956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=CSC(=N2)CSC3=NN=C(N3C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N5O3S2/c1-3-30-21(29)16-9-11-26(12-10-16)20(28)18-13-31-19(23-18)14-32-22-25-24-15(2)27(22)17-7-5-4-6-8-17/h4-8,13,16H,3,9-12,14H2,1-2H3