ethyl 2-(3-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)ethanoate

Systemtic Name: ethyl 2-(3-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)ethanoate Openeye Name: ethyl 2-(3-ethyl-3-phenyl-5-thioxo-1,2,4-triazolidin-1-yl)acetate CAS Name: 2-(3-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-ethyl-3-phenyl-5-sulfanylidene-1,2,4-triazolidin-1-yl)acetate Traditional Name: 2-(3-ethyl-3-phenyl-5-thioxo-1,2,4-triazolidin-1-yl)acetic acid ethyl ester Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(NC(=S)N(N1)CC(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCC1(NC(=S)N(N1)CC(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2S/c1-3-14(11-8-6-5-7-9-11)15-13(20)17(16-14)10-12(18)19-4-2/h5-9,16H,3-4,10H2,1-2H3,(H,15,20)