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

Systemtic Name: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-[(4-methoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(p-anisylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C18H15N2O3S3- MolecularWeight: 403.5183

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C18H16N2O3S3/c1-23-15-8-4-13(5-9-15)11-25-18-20-19-17(26-18)24-10-12-2-6-14(7-3-12)16(21)22/h2-9H,10-11H2,1H3,(H,21,22)/p-1