1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]pyrrolidine-2,5-dicarboxylic acid

Systemtic Name: 1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]pyrrolidine-2,5-dicarboxylic acid Openeye Name: 1-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]pyrrolidine-2,5-dicarboxylic acid CAS Name: 1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]pyrrolidine-2,5-dicarboxylic acid IUPAC Name: 1-[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]pyrrolidine-2,5-dicarboxylic acid Traditional Name: 1-[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]pyrrolidine-2,5-dicarboxylic acid Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1C(=O)O)C2=CC=CC(=C2)N3C=NNC3=S)C(=O)O

Isomeric SMILES

C1CC(N(C1C(=O)O)C2=CC=CC(=C2)N3C=NNC3=S)C(=O)O

InChI

InChI=1S/C14H14N4O4S/c19-12(20)10-4-5-11(13(21)22)18(10)9-3-1-2-8(6-9)17-7-15-16-14(17)23/h1-3,6-7,10-11H,4-5H2,(H,16,23)(H,19,20)(H,21,22)