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

Systemtic Name: ethyl 3-tert-butyl-3-ethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Openeye Name: ethyl 3-tert-butyl-3-ethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate CAS Name: 3-tert-butyl-3-ethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3-tert-butyl-3-ethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Traditional Name: 3-tert-butyl-3-ethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylic acid ethyl ester Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-6-17(16(3,4)5)18-20(13-11-9-8-10-12-13)14(23)19(17)15(21)22-7-2/h8-12,18H,6-7H2,1-5H3