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

Systemtic Name: ethyl 3,3-dimethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Openeye Name: ethyl 3,3-dimethyl-1-(p-tolyl)-5-thioxo-1,2,4-triazolidine-4-carboxylate CAS Name: 3,3-dimethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3,3-dimethyl-1-(4-methylphenyl)-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Traditional Name: 3,3-dimethyl-1-(p-tolyl)-5-thioxo-1,2,4-triazolidine-4-carboxylic acid ethyl ester Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(=S)N(NC1(C)C)C2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1C(=S)N(NC1(C)C)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H19N3O2S/c1-5-19-13(18)16-12(20)17(15-14(16,3)4)11-8-6-10(2)7-9-11/h6-9,15H,5H2,1-4H3