(2S)-1-(3-bromanylphenoxy)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2S)-1-(3-bromanylphenoxy)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-(3-bromophenoxy)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-2-ol CAS Name: (2S)-1-(3-bromophenoxy)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]-2-propanol IUPAC Name: (2S)-1-(3-bromophenoxy)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)sulfanyl]propan-2-ol Traditional Name: (2S)-1-(3-bromophenoxy)-3-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)thio]propan-2-ol Formula: C16H17BrN4O2S MolecularWeight: 409.30078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=NN=C(N12)SCC(COC3=CC(=CC=C3)Br)O)C

Isomeric SMILES

CC1=CC(=NC2=NN=C(N12)SC[C@H](COC3=CC(=CC=C3)Br)O)C

InChI

InChI=1S/C16H17BrN4O2S/c1-10-6-11(2)21-15(18-10)19-20-16(21)24-9-13(22)8-23-14-5-3-4-12(17)7-14/h3-7,13,22H,8-9H2,1-2H3/t13-/m0/s1