2-[[5-[[(3-chlorophenyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide

Systemtic Name: 2-[[5-[[(3-chlorophenyl)amino]methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-ethanamide Openeye Name: 2-[[5-[(3-chloroanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-acetamide CAS Name: 2-[[5-[(3-chloroanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenylacetamide IUPAC Name: 2-[[5-[(3-chloroanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenylacetamide Traditional Name: 2-[[5-[(3-chloroanilino)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-phenyl-acetamide Formula: C25H24ClN5OS MolecularWeight: 478.00896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)NC3=CC=CC=C3)CNC4=CC(=CC=C4)Cl

InChI

InChI=1S/C25H24ClN5OS/c26-20-10-7-13-22(16-20)27-17-23-29-30-25(31(23)15-14-19-8-3-1-4-9-19)33-18-24(32)28-21-11-5-2-6-12-21/h1-13,16,27H,14-15,17-18H2,(H,28,32)