(2S)-1-(4-tert-butylphenoxy)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2S)-1-(4-tert-butylphenoxy)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-(4-tert-butylphenoxy)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-ol CAS Name: (2S)-1-(4-tert-butylphenoxy)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2S)-1-(4-tert-butylphenoxy)-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2S)-1-(4-tert-butylphenoxy)-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propan-2-ol Formula: C21H27N3O2S2 MolecularWeight: 417.58798

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(COC2=CC=C(C=C2)C(C)(C)C)O)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SC[C@H](COC2=CC=C(C=C2)C(C)(C)C)O)C3=CC=CS3

InChI

InChI=1S/C21H27N3O2S2/c1-5-24-19(18-7-6-12-27-18)22-23-20(24)28-14-16(25)13-26-17-10-8-15(9-11-17)21(2,3)4/h6-12,16,25H,5,13-14H2,1-4H3/t16-/m0/s1