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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-[(4-methyl-1,2,4-triazol-3-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]but-2-ynyl 4-bromobenzoate Traditional Name: 4-bromobenzoic acid 4-[(4-methyl-1,2,4-triazol-3-yl)thio]but-2-ynyl ester Formula: C14H12BrN3O2S MolecularWeight: 366.23298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC#CCOC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CN1C=NN=C1SCC#CCOC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H12BrN3O2S/c1-18-10-16-17-14(18)21-9-3-2-8-20-13(19)11-4-6-12(15)7-5-11/h4-7,10H,8-9H2,1H3