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

Systemtic Name: 2-[[4-azanyl-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C16H23N5O2S MolecularWeight: 349.45112

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1N)COC2=CC(=CC(=C2)C)C

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1N)COC2=CC(=CC(=C2)C)C

InChI

InChI=1S/C16H23N5O2S/c1-4-5-18-15(22)10-24-16-20-19-14(21(16)17)9-23-13-7-11(2)6-12(3)8-13/h6-8H,4-5,9-10,17H2,1-3H3,(H,18,22)