1-(4-tert-butyl-2-methyl-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol CAS Name: 1-(4-tert-butyl-2-methylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: 1-(4-tert-butyl-2-methylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: 1-(4-tert-butyl-2-methyl-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-2-ol Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2S/c1-16-12-17(22(2,3)4)10-11-20(16)27-13-19(26)14-28-21-24-23-15-25(21)18-8-6-5-7-9-18/h5-12,15,19,26H,13-14H2,1-4H3