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

Systemtic Name: 1-(2,5-dimethylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: 1-(2,5-dimethylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol CAS Name: 1-(2,5-dimethylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: 1-(2,5-dimethylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: 1-(2,5-dimethylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-2-ol Formula: C19H21N3O2S MolecularWeight: 355.45394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(CSC2=NN=CN2C3=CC=CC=C3)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(CSC2=NN=CN2C3=CC=CC=C3)O

InChI

InChI=1S/C19H21N3O2S/c1-14-8-9-15(2)18(10-14)24-11-17(23)12-25-19-21-20-13-22(19)16-6-4-3-5-7-16/h3-10,13,17,23H,11-12H2,1-2H3