3-methyl-1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]imidazolidine-4-carboxylic acid

Systemtic Name: 3-methyl-1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]imidazolidine-4-carboxylic acid Openeye Name: 3-methyl-1-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]imidazolidine-4-carboxylic acid CAS Name: 3-methyl-1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]-4-imidazolidinecarboxylic acid IUPAC Name: 3-methyl-1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]imidazolidine-4-carboxylic acid Traditional Name: 3-methyl-1-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]imidazolidine-4-carboxylic acid Formula: C13H15N5O2S MolecularWeight: 305.3555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CN(CC1C(=O)O)C2=CC=CC(=C2)N3C=NNC3=S

Isomeric SMILES

CN1CN(CC1C(=O)O)C2=CC=CC(=C2)N3C=NNC3=S

InChI

InChI=1S/C13H15N5O2S/c1-16-8-17(6-11(16)12(19)20)9-3-2-4-10(5-9)18-7-14-15-13(18)21/h2-5,7,11H,6,8H2,1H3,(H,15,21)(H,19,20)