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

Systemtic Name: 3-[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)Br)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H18BrN3O2S/c1-13(17(24)15-7-9-16(20)10-8-15)26-19-22-21-18(25)23(19)12-11-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,21,25)/t13-/m0/s1