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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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