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

Systemtic Name: 2-(4-chloranylphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: 2-(4-chlorophenoxy)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-(4-chlorophenoxy)ethyl ester IUPAC Name: 2-(4-chlorophenoxy)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-(4-chlorophenoxy)ethyl ester Formula: C18H15ClN2O3S3 MolecularWeight: 438.9713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN2O3S3/c1-26-17-20-21(18(25)27-17)14-6-2-12(3-7-14)16(22)24-11-10-23-15-8-4-13(19)5-9-15/h2-9H,10-11H2,1H3