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

Systemtic Name: methyl 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Openeye Name: methyl 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoate Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]propionic acid methyl ester Formula: C9H15N3O2S MolecularWeight: 229.2993

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C)C(=O)OC

Isomeric SMILES

CCCC1=NC(=NN1)SC(C)C(=O)OC

InChI

InChI=1S/C9H15N3O2S/c1-4-5-7-10-9(12-11-7)15-6(2)8(13)14-3/h6H,4-5H2,1-3H3,(H,10,11,12)