2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[4-(diethylamino)phenyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-1-phenyl-ethanone Formula: C22H26N4OS MolecularWeight: 394.53304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N(CC)CC

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=CC=C2)C3=CC=C(C=C3)N(CC)CC

InChI

InChI=1S/C22H26N4OS/c1-4-25(5-2)19-14-12-18(13-15-19)21-23-24-22(26(21)6-3)28-16-20(27)17-10-8-7-9-11-17/h7-15H,4-6,16H2,1-3H3