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

Systemtic Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-cyanophenyl)-2-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C28H27N5OS MolecularWeight: 481.61188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N5OS/c29-18-20-8-6-12-23(16-20)30-27(34)19-35-28-32-31-26(33(28)24-13-2-1-3-14-24)17-22-11-7-10-21-9-4-5-15-25(21)22/h4-12,15-16,24H,1-3,13-14,17,19H2,(H,30,34)