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

Systemtic Name: (2S)-1-(4-methylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-3-(4-methylphenoxy)propan-2-ol CAS Name: (2S)-1-(4-methylphenoxy)-3-[[4-prop-2-enyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-2-propanol IUPAC Name: (2S)-1-(4-methylphenoxy)-3-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2S)-1-[[4-allyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-3-(4-methylphenoxy)propan-2-ol Formula: C20H22N4O2S MolecularWeight: 382.47928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O2S/c1-3-11-24-19(16-5-4-10-21-12-16)22-23-20(24)27-14-17(25)13-26-18-8-6-15(2)7-9-18/h3-10,12,17,25H,1,11,13-14H2,2H3/t17-/m0/s1