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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]butanoate IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]butyrate Formula: C7H10N3O2S- MolecularWeight: 200.2382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCCCC(=O)[O-]

Isomeric SMILES

CN1C=NN=C1SCCCC(=O)[O-]

InChI

InChI=1S/C7H11N3O2S/c1-10-5-8-9-7(10)13-4-2-3-6(11)12/h5H,2-4H2,1H3,(H,11,12)/p-1