4-[[bis(cyanomethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid

Systemtic Name: 4-[[bis(cyanomethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Openeye Name: 4-[[bis(cyanomethyl)amino]methyl]thiazole-2-carboxylic acid CAS Name: 4-[[bis(cyanomethyl)amino]methyl]-2-thiazolecarboxylic acid IUPAC Name: 4-[[bis(cyanomethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid Traditional Name: 4-[[bis(cyanomethyl)amino]methyl]thiazole-2-carboxylic acid Formula: C9H8N4O2S MolecularWeight: 236.25042

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(N=C(S1)C(=O)O)CN(CC#N)CC#N

Isomeric SMILES

C1=C(N=C(S1)C(=O)O)CN(CC#N)CC#N

InChI

InChI=1S/C9H8N4O2S/c10-1-3-13(4-2-11)5-7-6-16-8(12-7)9(14)15/h6H,3-5H2,(H,14,15)