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

Systemtic Name: 1,4-bis[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-2,5-dicarboxylic acid Openeye Name: 1,4-bis[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]piperazine-2,5-dicarboxylic acid CAS Name: 1,4-bis[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-2,5-dicarboxylic acid IUPAC Name: 1,4-bis[3-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)phenyl]piperazine-2,5-dicarboxylic acid Traditional Name: 1,4-bis[3-(5-thioxo-1H-1,2,4-triazol-4-yl)phenyl]piperazine-2,5-dicarboxylic acid Formula: C22H20N8O4S2 MolecularWeight: 524.5754

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC(N1C2=CC=CC(=C2)N3C=NNC3=S)C(=O)O)C4=CC=CC(=C4)N5C=NNC5=S)C(=O)O

Isomeric SMILES

C1C(N(CC(N1C2=CC=CC(=C2)N3C=NNC3=S)C(=O)O)C4=CC=CC(=C4)N5C=NNC5=S)C(=O)O

InChI

InChI=1S/C22H20N8O4S2/c31-19(32)17-10-28(14-4-2-6-16(8-14)30-12-24-26-22(30)36)18(20(33)34)9-27(17)13-3-1-5-15(7-13)29-11-23-25-21(29)35/h1-8,11-12,17-18H,9-10H2,(H,25,35)(H,26,36)(H,31,32)(H,33,34)