ethyl 1-[[4-ethyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[4-ethyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[4-ethyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[4-ethyl-3-[3-(1-pyrrolidinylsulfonyl)phenyl]-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[4-ethyl-3-(3-pyrrolidin-1-ylsulfonylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[4-ethyl-3-(3-pyrrolidinosulfonylphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]isonipecotic acid ethyl ester Formula: C23H33N5O4S2 MolecularWeight: 507.66922

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OCC)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN1C(=NN(C1=S)CN2CCC(CC2)C(=O)OCC)C3=CC(=CC=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C23H33N5O4S2/c1-3-27-21(19-8-7-9-20(16-19)34(30,31)26-12-5-6-13-26)24-28(23(27)33)17-25-14-10-18(11-15-25)22(29)32-4-2/h7-9,16,18H,3-6,10-15,17H2,1-2H3