(2R)-1-(4-tert-butylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol CAS Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-2-ol Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CSC2=NN=CN2C3=CC=CC=C3)O

InChI

InChI=1S/C21H25N3O2S/c1-21(2,3)16-9-11-19(12-10-16)26-13-18(25)14-27-20-23-22-15-24(20)17-7-5-4-6-8-17/h4-12,15,18,25H,13-14H2,1-3H3/t18-/m1/s1