3-[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-4-ethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-4-ethyl-1H-1,2,4-triazol-5-one Formula: C13H14BrN3O2S MolecularWeight: 356.23816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)NN=C1SC(C)C(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCN1C(=O)NN=C1S[C@H](C)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H14BrN3O2S/c1-3-17-12(19)15-16-13(17)20-8(2)11(18)9-4-6-10(14)7-5-9/h4-8H,3H2,1-2H3,(H,15,19)/t8-/m1/s1