4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-ynyl 4-bromanylbenzoate

Systemtic Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]but-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-[(5-methyl-1,3,4-thiadiazol-2-yl)thio]but-2-ynyl ester Formula: C14H11BrN2O2S2 MolecularWeight: 383.28334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SCC#CCOC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC1=NN=C(S1)SCC#CCOC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrN2O2S2/c1-10-16-17-14(21-10)20-9-3-2-8-19-13(18)11-4-6-12(15)7-5-11/h4-7H,8-9H2,1H3