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

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

CC(CC(=O)OC)SC1=NN=CN1C

Isomeric SMILES

CC(CC(=O)OC)SC1=NN=CN1C

InChI

InChI=1S/C8H13N3O2S/c1-6(4-7(12)13-3)14-8-10-9-5-11(8)2/h5-6H,4H2,1-3H3