1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol

Systemtic Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol Openeye Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxy-propan-2-ol CAS Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-phenoxy-2-propanol IUPAC Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenoxypropan-2-ol Traditional Name: 1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-3-phenoxy-propan-2-ol Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(COC3=CC=CC=C3)O)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NN=C2SCC(COC3=CC=CC=C3)O)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N3O2S/c1-18-13-14-21(15-19(18)2)28-24(20-9-5-3-6-10-20)26-27-25(28)31-17-22(29)16-30-23-11-7-4-8-12-23/h3-15,22,29H,16-17H2,1-2H3