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

Systemtic Name: 4-[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: 4-[[2-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoate IUPAC Name: 4-[[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]thio]acetyl]amino]benzoate Formula: C22H16N3O3S3- MolecularWeight: 466.57574

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CSC3=NN=C(S3)SCC(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C22H17N3O3S3/c26-19(23-17-10-8-15(9-11-17)20(27)28)13-30-22-25-24-21(31-22)29-12-16-6-3-5-14-4-1-2-7-18(14)16/h1-11H,12-13H2,(H,23,26)(H,27,28)/p-1