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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NNC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN4O2S/c19-13-7-9-15(10-8-13)25-11-16-21-18(23-22-16)26-12-17(24)20-14-5-3-1-2-4-6-14/h7-10,14H,1-6,11-12H2,(H,20,24)(H,21,22,23)