methyl 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate

Systemtic Name: methyl 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate Openeye Name: methyl 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate CAS Name: 3-(1H-1,2,4-triazol-5-ylthio)butanoic acid methyl ester IUPAC Name: methyl 3-(1H-1,2,4-triazol-5-ylsulfanyl)butanoate Traditional Name: 3-(1H-1,2,4-triazol-5-ylthio)butyric acid methyl ester Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)SC1=NC=NN1

Isomeric SMILES

CC(CC(=O)OC)SC1=NC=NN1

InChI

InChI=1S/C7H11N3O2S/c1-5(3-6(11)12-2)13-7-8-4-9-10-7/h4-5H,3H2,1-2H3,(H,8,9,10)