ethyl 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate

Systemtic Name: ethyl 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Openeye Name: ethyl 3,3-diethyl-1-(p-tolyl)-5-thioxo-1,2,4-triazolidine-4-carboxylate CAS Name: 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3,3-diethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Traditional Name: 3,3-diethyl-1-(p-tolyl)-5-thioxo-1,2,4-triazolidine-4-carboxylic acid ethyl ester Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(NN(C(=S)N1C(=O)OCC)C2=CC=C(C=C2)C)CC

Isomeric SMILES

CCC1(NN(C(=S)N1C(=O)OCC)C2=CC=C(C=C2)C)CC

InChI

InChI=1S/C16H23N3O2S/c1-5-16(6-2)17-19(13-10-8-12(4)9-11-13)14(22)18(16)15(20)21-7-3/h8-11,17H,5-7H2,1-4H3