ethyl 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate

Systemtic Name: ethyl 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Openeye Name: ethyl 3-ethyl-3-methyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate CAS Name: 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-ethyl-3-methyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Traditional Name: 3-ethyl-3-methyl-1-phenyl-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:

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

Isomeric SMILES

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

InChI

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