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

Systemtic Name: 2-[[4-azanyl-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenylacetamide IUPAC Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-N-phenylacetamide Traditional Name: 2-[[4-amino-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]-N-methyl-N-phenyl-acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC(=O)N(C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC2=NN=C(N2N)SCC(=O)N(C)C3=CC=CC=C3)C

InChI

InChI=1S/C20H23N5O2S/c1-14-9-15(2)11-17(10-14)27-12-18-22-23-20(25(18)21)28-13-19(26)24(3)16-7-5-4-6-8-16/h4-11H,12-13,21H2,1-3H3