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

Systemtic Name: ethyl 3-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: ethyl 3-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]propionic acid ethyl ester Formula: C14H16BrN3O2S MolecularWeight: 370.26474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NN=C(N1C)C2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)CCSC1=NN=C(N1C)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H16BrN3O2S/c1-3-20-12(19)8-9-21-14-17-16-13(18(14)2)10-4-6-11(15)7-5-10/h4-7H,3,8-9H2,1-2H3