4-methylsulfanyl-2-[[4-(1,2,3-triazol-2-yl)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[4-(1,2,3-triazol-2-yl)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-(triazol-2-yl)phenyl]sulfonylamino]butanoic acid CAS Name: 4-(methylthio)-2-[[4-(2-triazolyl)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[4-(triazol-2-yl)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-(methylthio)-2-[[4-(triazol-2-yl)phenyl]sulfonylamino]butyric acid Formula: C13H16N4O4S2 MolecularWeight: 356.42054

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N2N=CC=N2

Isomeric SMILES

CSCCC(C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)N2N=CC=N2

InChI

InChI=1S/C13H16N4O4S2/c1-22-9-6-12(13(18)19)16-23(20,21)11-4-2-10(3-5-11)17-14-7-8-15-17/h2-5,7-8,12,16H,6,9H2,1H3,(H,18,19)