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

Systemtic Name: 4-oxidanylidene-4-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]butanoic acid Openeye Name: 4-oxo-4-[3-(5-thioxo-2H-tetrazol-1-yl)anilino]butanoic acid CAS Name: 4-oxo-4-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]butanoic acid IUPAC Name: 4-oxo-4-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]butanoic acid Traditional Name: 4-keto-4-[3-(5-thioxo-2H-tetrazol-1-yl)anilino]butyric acid Formula: C11H11N5O3S MolecularWeight: 293.30174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCC(=O)O)N2C(=S)N=NN2

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCC(=O)O)N2C(=S)N=NN2

InChI

InChI=1S/C11H11N5O3S/c17-9(4-5-10(18)19)12-7-2-1-3-8(6-7)16-11(20)13-14-15-16/h1-3,6H,4-5H2,(H,12,17)(H,18,19)(H,13,15,20)