tert-butyl 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethanoate

Systemtic Name: tert-butyl 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethanoate Openeye Name: tert-butyl 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetate CAS Name: 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)acetate Traditional Name: 2-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)acetic acid tert-butyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1=NNC(=S)N1C

Isomeric SMILES

CC(C)(C)OC(=O)CC1=NNC(=S)N1C

InChI

InChI=1S/C9H15N3O2S/c1-9(2,3)14-7(13)5-6-10-11-8(15)12(6)4/h5H2,1-4H3,(H,11,15)