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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)OC[C@H](CSC2=NN=C(N2CC=C)C3=CC=NC=C3)O

InChI

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