(2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol

Systemtic Name: (2S)-1-(2-methoxy-4-prop-2-enyl-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Openeye Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol CAS Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]-2-propanol IUPAC Name: (2S)-1-(2-methoxy-4-prop-2-enylphenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-2-ol Traditional Name: (2S)-1-(4-allyl-2-methoxy-phenoxy)-3-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-2-ol Formula: C21H23N3O3S MolecularWeight: 397.49062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(CSC2=NN=CN2C3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OC[C@@H](CSC2=NN=CN2C3=CC=CC=C3)O

InChI

InChI=1S/C21H23N3O3S/c1-3-7-16-10-11-19(20(12-16)26-2)27-13-18(25)14-28-21-23-22-15-24(21)17-8-5-4-6-9-17/h3-6,8-12,15,18,25H,1,7,13-14H2,2H3/t18-/m0/s1