tert-butyl 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate

Systemtic Name: tert-butyl 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]ethanoate Openeye Name: tert-butyl 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]sulfanyl]acetate CAS Name: 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]thio]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-(4-chlorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]acetate Traditional Name: 2-[[4-(4-chlorophenyl)-5-thioxo-1,3,4-thiadiazol-2-yl]thio]acetic acid tert-butyl ester Formula: C14H15ClN2O2S3 MolecularWeight: 374.9291

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15ClN2O2S3/c1-14(2,3)19-11(18)8-21-12-16-17(13(20)22-12)10-6-4-9(15)5-7-10/h4-7H,8H2,1-3H3