methyl 2-[1-oxidanyl-1-(1,2,4-triazol-1-yl)butyl]sulfanylethanoate

Systemtic Name: methyl 2-[1-oxidanyl-1-(1,2,4-triazol-1-yl)butyl]sulfanylethanoate Openeye Name: methyl 2-[1-hydroxy-1-(1,2,4-triazol-1-yl)butyl]sulfanylacetate CAS Name: 2-[[1-hydroxy-1-(1,2,4-triazol-1-yl)butyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-hydroxy-1-(1,2,4-triazol-1-yl)butyl]sulfanylacetate Traditional Name: 2-[[1-hydroxy-1-(1,2,4-triazol-1-yl)butyl]thio]acetic acid methyl ester Formula: C9H15N3O3S MolecularWeight: 245.2987

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(N1C=NC=N1)(O)SCC(=O)OC

Isomeric SMILES

CCCC(N1C=NC=N1)(O)SCC(=O)OC

InChI

InChI=1S/C9H15N3O3S/c1-3-4-9(14,12-7-10-6-11-12)16-5-8(13)15-2/h6-7,14H,3-5H2,1-2H3