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

Systemtic Name: 2-methyl-2-[[3-(5-sulfanylidene-2H-1,2,3,4-tetrazol-1-yl)phenyl]amino]propanoic acid Openeye Name: 2-methyl-2-[3-(5-thioxo-2H-tetrazol-1-yl)anilino]propanoic acid CAS Name: 2-methyl-2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]propanoic acid IUPAC Name: 2-methyl-2-[3-(5-sulfanylidene-2H-tetrazol-1-yl)anilino]propanoic acid Traditional Name: 2-methyl-2-[3-(5-thioxo-2H-tetrazol-1-yl)anilino]propionic acid Formula: C11H13N5O2S MolecularWeight: 279.31822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC1=CC=CC(=C1)N2C(=S)N=NN2

Isomeric SMILES

CC(C)(C(=O)O)NC1=CC=CC(=C1)N2C(=S)N=NN2

InChI

InChI=1S/C11H13N5O2S/c1-11(2,9(17)18)12-7-4-3-5-8(6-7)16-10(19)13-14-15-16/h3-6,12H,1-2H3,(H,17,18)(H,13,15,19)