naphthalen-1-ylmethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: naphthalen-1-ylmethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: 1-naphthylmethyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid 1-naphthylmethyl ester Formula: C21H16N2O2S3 MolecularWeight: 424.55894

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H16N2O2S3/c1-27-20-22-23(21(26)28-20)17-11-9-15(10-12-17)19(24)25-13-16-7-4-6-14-5-2-3-8-18(14)16/h2-12H,13H2,1H3