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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-propanamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexylpropanamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-propionamide Formula: C18H23ClN4O2S MolecularWeight: 394.91882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NNC(=N2)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NNC(=N2)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN4O2S/c1-12(17(24)20-14-5-3-2-4-6-14)26-18-21-16(22-23-18)11-25-15-9-7-13(19)8-10-15/h7-10,12,14H,2-6,11H2,1H3,(H,20,24)(H,21,22,23)