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

Systemtic Name: (2R)-1-(2-methylphenoxy)-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-methylphenoxy)propan-2-ol CAS Name: (2R)-1-(2-methylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2R)-1-(2-methylphenoxy)-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-methylphenoxy)propan-2-ol Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

InChI

InChI=1S/C20H22N4O2S/c1-3-12-24-19(16-8-10-21-11-9-16)22-23-20(24)27-14-17(25)13-26-18-7-5-4-6-15(18)2/h3-11,17,25H,1,12-14H2,2H3/t17-/m1/s1