4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 4-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoate Formula: C21H15N2O2S3- MolecularWeight: 423.551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H16N2O2S3/c24-19(25)16-10-8-14(9-11-16)12-26-20-22-23-21(28-20)27-13-17-6-3-5-15-4-1-2-7-18(15)17/h1-11H,12-13H2,(H,24,25)/p-1