2-[[5-(1-benzofuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide

Systemtic Name: 2-[[5-(1-benzofuran-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[5-(benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[5-(2-benzofuranyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[5-(1-benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[5-(benzofuran-2-yl)-4-benzyl-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C25H26N4O2S MolecularWeight: 446.56454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C25H26N4O2S/c30-23(26-20-12-5-2-6-13-20)17-32-25-28-27-24(29(25)16-18-9-3-1-4-10-18)22-15-19-11-7-8-14-21(19)31-22/h1,3-4,7-11,14-15,20H,2,5-6,12-13,16-17H2,(H,26,30)