2-[[5-[(E)-1-oxidanyl-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanedioic acid

Systemtic Name: 2-[[5-[(E)-1-oxidanyl-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanedioic acid Openeye Name: 2-[[5-[(E)-1-hydroxy-3-oxo-3-(2-thienyl)prop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanedioic acid CAS Name: 2-[[5-[(E)-1-hydroxy-3-oxo-3-thiophen-2-ylprop-1-enyl]-1H-1,2,4-triazol-3-yl]thio]butanedioic acid IUPAC Name: 2-[[5-[(E)-1-hydroxy-3-oxo-3-thiophen-2-ylprop-1-enyl]-1H-1,2,4-triazol-3-yl]sulfanyl]butanedioic acid Traditional Name: 2-[[5-[(E)-1-hydroxy-3-keto-3-(2-thienyl)prop-1-enyl]-1H-1,2,4-triazol-3-yl]thio]succinic acid Formula: C13H11N3O6S2 MolecularWeight: 369.37294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)C=C(C2=NC(=NN2)SC(CC(=O)O)C(=O)O)O

Isomeric SMILES

C1=CSC(=C1)C(=O)/C=C(\C2=NC(=NN2)SC(CC(=O)O)C(=O)O)/O

InChI

InChI=1S/C13H11N3O6S2/c17-6(8-2-1-3-23-8)4-7(18)11-14-13(16-15-11)24-9(12(21)22)5-10(19)20/h1-4,9,18H,5H2,(H,19,20)(H,21,22)(H,14,15,16)/b7-4+