ethyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate CAS Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]butanoate Traditional Name: 4-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]butyric acid ethyl ester Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCSC1=NNC(=N1)C2=CC=CC=C2Br

Isomeric SMILES

CCOC(=O)CCCSC1=NNC(=N1)C2=CC=CC=C2Br

InChI

InChI=1S/C14H16BrN3O2S/c1-2-20-12(19)8-5-9-21-14-16-13(17-18-14)10-6-3-4-7-11(10)15/h3-4,6-7H,2,5,8-9H2,1H3,(H,16,17,18)