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

Systemtic Name: (2R)-1-(2-propan-2-ylphenoxy)-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-(2-isopropylphenoxy)propan-2-ol CAS Name: (2R)-1-(2-propan-2-ylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2R)-1-(2-propan-2-ylphenoxy)-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-(2-isopropylphenoxy)propan-2-ol Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OCC(CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

Isomeric SMILES

CC(C)C1=CC=CC=C1OC[C@H](CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

InChI

InChI=1S/C22H26N4O2S/c1-4-13-26-21(17-9-11-23-12-10-17)24-25-22(26)29-15-18(27)14-28-20-8-6-5-7-19(20)16(2)3/h4-12,16,18,27H,1,13-15H2,2-3H3/t18-/m1/s1