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

Systemtic Name: 2-[[4-azanyl-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-N-phenylacetamide Traditional Name: 2-[[4-amino-5-[(2,4-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-ethyl-N-phenyl-acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)COC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCN(C1=CC=CC=C1)C(=O)CSC2=NN=C(N2N)COC3=C(C=C(C=C3)C)C

InChI

InChI=1S/C21H25N5O2S/c1-4-25(17-8-6-5-7-9-17)20(27)14-29-21-24-23-19(26(21)22)13-28-18-11-10-15(2)12-16(18)3/h5-12H,4,13-14,22H2,1-3H3