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

Systemtic Name: methyl 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC(=O)OC

Isomeric SMILES

CCCC1=NC(=NN1)SCC(=O)OC

InChI

InChI=1S/C8H13N3O2S/c1-3-4-6-9-8(11-10-6)14-5-7(12)13-2/h3-5H2,1-2H3,(H,9,10,11)