ethyl 4-[[5-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-[3-(methylthio)phenyl]-1,2,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(3-methylsulfanylphenyl)-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-[3-(methylthio)phenyl]-1,2,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2=NOC(=N2)C3=CC(=CC=C3)SC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2=NOC(=N2)C3=CC(=CC=C3)SC

InChI

InChI=1S/C17H22N4O3S/c1-3-23-17(22)21-9-7-20(8-10-21)12-15-18-16(24-19-15)13-5-4-6-14(11-13)25-2/h4-6,11H,3,7-10,12H2,1-2H3