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

Systemtic Name: ethyl 4-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[[5-(p-tolyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate CAS Name: 4-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]piperazine-1-carboxylate Traditional Name: 4-[[5-(p-tolyl)-2-thioxo-1,3,4-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)CN2C(=S)OC(=N2)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CN2C(=S)OC(=N2)C3=CC=C(C=C3)C

InChI

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