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

Systemtic Name: ethyl 3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Openeye Name: ethyl 3,3-dimethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylate CAS Name: 3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 3,3-dimethyl-1-phenyl-5-sulfanylidene-1,2,4-triazolidine-4-carboxylate Traditional Name: 3,3-dimethyl-1-phenyl-5-thioxo-1,2,4-triazolidine-4-carboxylic acid ethyl ester Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-4-18-12(17)15-11(19)16(14-13(15,2)3)10-8-6-5-7-9-10/h5-9,14H,4H2,1-3H3