2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide

Systemtic Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-yl-ethanamide Openeye Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-naphthyl)acetamide CAS Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-naphthalenyl)acetamide IUPAC Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide Traditional Name: 2-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(1-naphthyl)acetamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC4=CC=CC=C43)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NN2)SCC(=O)NC3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C22H20N4O3S/c1-28-16-10-15(11-17(12-16)29-2)21-24-22(26-25-21)30-13-20(27)23-19-9-5-7-14-6-3-4-8-18(14)19/h3-12H,13H2,1-2H3,(H,23,27)(H,24,25,26)