1-(4-bromanylphenoxy)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: 1-(4-bromanylphenoxy)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: 1-(4-bromophenoxy)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol CAS Name: 1-(4-bromophenoxy)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: 1-(4-bromophenoxy)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: 1-(4-bromophenoxy)-3-[(5-cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)thio]propan-2-ol Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)Br)O

Isomeric SMILES

C1CC1C2=NN=C(N2C3=CC=CC=C3)SCC(COC4=CC=C(C=C4)Br)O

InChI

InChI=1S/C20H20BrN3O2S/c21-15-8-10-18(11-9-15)26-12-17(25)13-27-20-23-22-19(14-6-7-14)24(20)16-4-2-1-3-5-16/h1-5,8-11,14,17,25H,6-7,12-13H2