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

Systemtic Name: 4-[[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(benzylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C17H14N2O2S3 MolecularWeight: 374.50026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C17H14N2O2S3/c20-15(21)14-8-6-13(7-9-14)11-23-17-19-18-16(24-17)22-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,20,21)