2-(3-bromanylphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 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 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 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 2-(3-bromophenoxy)ethyl ester Formula: C18H15BrN2O3S3 MolecularWeight: 483.4223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CSC1=NN(C(=S)S1)C2=CC=C(C=C2)C(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C18H15BrN2O3S3/c1-26-17-20-21(18(25)27-17)14-7-5-12(6-8-14)16(22)24-10-9-23-15-4-2-3-13(19)11-15/h2-8,11H,9-10H2,1H3