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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1CC)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1CC)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN4O2S/c1-3-9-18-15(22)11-24-16-20-19-14(21(16)4-2)10-23-13-7-5-12(17)6-8-13/h5-8H,3-4,9-11H2,1-2H3,(H,18,22)