4-oxidanylidene-4-[[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)anilino]butanoic acid CAS Name: 4-oxo-4-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)anilino]butanoic acid IUPAC Name: 4-oxo-4-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)anilino]butanoic acid Traditional Name: 4-keto-4-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)anilino]butyric acid Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC(=O)O)N2C=NNC2=S

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC(=O)O)N2C=NNC2=S

InChI

InChI=1S/C12H12N4O3S/c17-10(4-5-11(18)19)14-8-2-1-3-9(6-8)16-7-13-15-12(16)20/h1-3,6-7H,4-5H2,(H,14,17)(H,15,20)(H,18,19)