4-[[5-[(4-carboxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[5-[(4-carboxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-[(4-carboxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-[(4-carboxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-[(4-carboxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-[(4-carboxybenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C18H14N2O4S3 MolecularWeight: 418.50976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O)C(=O)O

InChI

InChI=1S/C18H14N2O4S3/c21-15(22)13-5-1-11(2-6-13)9-25-17-19-20-18(27-17)26-10-12-3-7-14(8-4-12)16(23)24/h1-8H,9-10H2,(H,21,22)(H,23,24)