3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(tetrahydropyran-2-ylmethylsulfanyl)-1,2,4-triazole CAS Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(2-oxanylmethylthio)-1,2,4-triazole IUPAC Name: 3-(4-bromophenyl)-4-(4-ethoxyphenyl)-5-(oxan-2-ylmethylsulfanyl)-1,2,4-triazole Traditional Name: 3-(4-bromophenyl)-4-p-phenetyl-5-(tetrahydropyran-2-ylmethylthio)-1,2,4-triazole Formula: C22H24BrN3O2S MolecularWeight: 474.41386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=C(C=C4)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3CCCCO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C22H24BrN3O2S/c1-2-27-19-12-10-18(11-13-19)26-21(16-6-8-17(23)9-7-16)24-25-22(26)29-15-20-5-3-4-14-28-20/h6-13,20H,2-5,14-15H2,1H3