1-cyclohexyl-2-[[5-(naphthalen-1-yloxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-cyclohexyl-2-[[5-(naphthalen-1-yloxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-benzyl-5-(1-naphthyloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-cyclohexyl-ethanone CAS Name: 1-cyclohexyl-2-[[5-(1-naphthalenyloxymethyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[[4-benzyl-5-(naphthalen-1-yloxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-cyclohexylethanone Traditional Name: 2-[[4-benzyl-5-(1-naphthoxymethyl)-1,2,4-triazol-3-yl]thio]-1-cyclohexyl-ethanone Formula: C28H29N3O2S MolecularWeight: 471.61376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)COC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H29N3O2S/c32-25(23-13-5-2-6-14-23)20-34-28-30-29-27(31(28)18-21-10-3-1-4-11-21)19-33-26-17-9-15-22-12-7-8-16-24(22)26/h1,3-4,7-12,15-17,23H,2,5-6,13-14,18-20H2