2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-cyclooctylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclooctylacetamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-cyclooctyl-acetamide Formula: C19H25ClN4O2S MolecularWeight: 408.9454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H25ClN4O2S/c20-14-8-10-16(11-9-14)26-12-17-22-19(24-23-17)27-13-18(25)21-15-6-4-2-1-3-5-7-15/h8-11,15H,1-7,12-13H2,(H,21,25)(H,22,23,24)