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

Systemtic Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-propan-2-ylphenoxy)propan-2-ol Openeye Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-isopropylphenoxy)propan-2-ol CAS Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(2-propan-2-ylphenoxy)-2-propanol IUPAC Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(2-propan-2-ylphenoxy)propan-2-ol Traditional Name: (2S)-1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-3-(2-isopropylphenoxy)propan-2-ol Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=CC=C2C(C)C)O)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC[C@H](COC2=CC=CC=C2C(C)C)O)C3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2S/c1-4-25-21(17-10-6-5-7-11-17)23-24-22(25)28-15-18(26)14-27-20-13-9-8-12-19(20)16(2)3/h5-13,16,18,26H,4,14-15H2,1-3H3/t18-/m0/s1