4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid

Systemtic Name: 4-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]butanoic acid Openeye Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid CAS Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]butyric acid Formula: C8H13N5O3S MolecularWeight: 259.28552

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)O)CNC(=O)CSC1=NNC(=N1)N

Isomeric SMILES

C(CC(=O)O)CNC(=O)CSC1=NNC(=N1)N

InChI

InChI=1S/C8H13N5O3S/c9-7-11-8(13-12-7)17-4-5(14)10-3-1-2-6(15)16/h1-4H2,(H,10,14)(H,15,16)(H3,9,11,12,13)