1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone

Systemtic Name: 1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone Openeye Name: 1-(3,3-dimethyl-1-phenyl-5-thioxo-1,2,4-triazolidin-4-yl)ethanone CAS Name: 1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone IUPAC Name: 1-(3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidin-4-yl)ethanone Traditional Name: 1-(3,3-dimethyl-1-phenyl-5-thioxo-1,2,4-triazolidin-4-yl)ethanone Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3OS/c1-9(16)14-11(17)15(13-12(14,2)3)10-7-5-4-6-8-10/h4-8,13H,1-3H3