ethyl 2,2-dimethyl-3-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)propanoate

Systemtic Name: ethyl 2,2-dimethyl-3-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)propanoate Openeye Name: ethyl 2,2-dimethyl-3-(5-thioxo-1,2-dihydrotriazol-4-yl)propanoate CAS Name: 2,2-dimethyl-3-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)propanoic acid ethyl ester IUPAC Name: ethyl 2,2-dimethyl-3-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)propanoate Traditional Name: 2,2-dimethyl-3-(5-thioxo-1,2-dihydrotriazol-4-yl)propionic acid ethyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=NNNC1=S

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=NNNC1=S

InChI

InChI=1S/C9H15N3O2S/c1-4-14-8(13)9(2,3)5-6-7(15)11-12-10-6/h4-5H2,1-3H3,(H2,10,11,12,15)