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

Systemtic Name: 4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 4-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]benzoic acid Formula: C21H16N2O2S3 MolecularWeight: 424.55894

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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)