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

Systemtic Name: methyl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C11H19N3O2S MolecularWeight: 257.35246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)SC1=NNC(=N1)C(C)(C)C

Isomeric SMILES

CCC(C(=O)OC)SC1=NNC(=N1)C(C)(C)C

InChI

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