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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-yl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-heptan-2-ylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-heptan-2-ylacetamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C18H25ClN4O2S MolecularWeight: 396.9347

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H25ClN4O2S/c1-3-4-5-6-13(2)20-17(24)12-26-18-21-16(22-23-18)11-25-15-9-7-14(19)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,20,24)(H,21,22,23)