propan-2-yl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: propan-2-yl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: isopropyl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]acetic acid isopropyl ester Formula: C11H19N3O2S MolecularWeight: 257.35246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NNC(=N1)C(C)(C)C

Isomeric SMILES

CC(C)OC(=O)CSC1=NNC(=N1)C(C)(C)C

InChI

InChI=1S/C11H19N3O2S/c1-7(2)16-8(15)6-17-10-12-9(13-14-10)11(3,4)5/h7H,6H2,1-5H3,(H,12,13,14)