(2R)-1-(4-tert-butylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2R)-1-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-tert-butylphenoxy)propan-2-ol CAS Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2R)-1-(4-tert-butylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2R)-1-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-3-(4-tert-butylphenoxy)propan-2-ol Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC[C@H](CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

InChI

InChI=1S/C23H28N4O2S/c1-5-14-27-21(17-10-12-24-13-11-17)25-26-22(27)30-16-19(28)15-29-20-8-6-18(7-9-20)23(2,3)4/h5-13,19,28H,1,14-16H2,2-4H3/t19-/m1/s1