5-[(2R)-1-(4-bromanylpyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(2R)-1-(4-bromanylpyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Openeye Name: 5-[(1R)-2-(4-bromopyrazol-1-yl)-1-methyl-ethyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate CAS Name: 5-[(2R)-1-(4-bromo-1-pyrazolyl)propan-2-yl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(2R)-1-(4-bromopyrazol-1-yl)propan-2-yl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(1R)-2-(4-bromopyrazol-1-yl)-1-methyl-ethyl]-4-(2-ethylphenyl)-1,2,4-triazole-3-thiolate Formula: C16H17BrN5S- MolecularWeight: 391.30868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N2C(=NN=C2[S-])C(C)CN3C=C(C=N3)Br

Isomeric SMILES

CCC1=CC=CC=C1N2C(=NN=C2[S-])[C@H](C)CN3C=C(C=N3)Br

InChI

InChI=1S/C16H18BrN5S/c1-3-12-6-4-5-7-14(12)22-15(19-20-16(22)23)11(2)9-21-10-13(17)8-18-21/h4-8,10-11H,3,9H2,1-2H3,(H,20,23)/p-1/t11-/m1/s1