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

Systemtic Name: 2-phenoxyethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: 2-phenoxyethyl 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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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-phenoxyethyl ester Formula: C18H16N2O3S3 MolecularWeight: 404.52624

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O3S3/c1-25-17-19-20(18(24)26-17)14-9-7-13(8-10-14)16(21)23-12-11-22-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3