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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=S)NN2)NC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=S)NN2)NC(=O)CCC(=O)O

InChI

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