3-(1-benzofuran-2-yl)-5-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-2-yl)-5-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Openeye Name: 3-(benzofuran-2-yl)-5-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole CAS Name: 3-(2-benzofuranyl)-5-[(4-chlorophenyl)methylthio]-4-cyclohexyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-2-yl)-5-[(4-chlorophenyl)methylsulfanyl]-4-cyclohexyl-1,2,4-triazole Traditional Name: 3-(benzofuran-2-yl)-5-[(4-chlorobenzyl)thio]-4-cyclohexyl-1,2,4-triazole Formula: C23H22ClN3OS MolecularWeight: 423.95828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC5=CC=CC=C5O4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=CC=C(C=C3)Cl)C4=CC5=CC=CC=C5O4

InChI

InChI=1S/C23H22ClN3OS/c24-18-12-10-16(11-13-18)15-29-23-26-25-22(27(23)19-7-2-1-3-8-19)21-14-17-6-4-5-9-20(17)28-21/h4-6,9-14,19H,1-3,7-8,15H2