methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate

Systemtic Name: methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]butyric acid methyl ester Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCC(=O)OC

Isomeric SMILES

CN1C=NN=C1SCCCC(=O)OC

InChI

InChI=1S/C8H13N3O2S/c1-11-6-9-10-8(11)14-5-3-4-7(12)13-2/h6H,3-5H2,1-2H3