4-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-chlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-[(4-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C17H12ClN2O2S3- MolecularWeight: 407.93738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl)C(=O)[O-]

InChI

InChI=1S/C17H13ClN2O2S3/c18-14-7-3-12(4-8-14)10-24-17-20-19-16(25-17)23-9-11-1-5-13(6-2-11)15(21)22/h1-8H,9-10H2,(H,21,22)/p-1