2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodophenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodophenyl)acetamide Formula: C27H27IN4OS MolecularWeight: 582.49895

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)I)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)I)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H27IN4OS/c28-21-13-15-22(16-14-21)29-26(33)18-34-27-31-30-25(32(27)23-10-2-1-3-11-23)17-20-9-6-8-19-7-4-5-12-24(19)20/h4-9,12-16,23H,1-3,10-11,17-18H2,(H,29,33)