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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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