N-(4-dimethylaminophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-dimethylaminophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-dimethylaminophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-dimethylaminophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-dimethylaminophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-dimethylaminophenyl)-2-[[4-ethyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H25N5O2S MolecularWeight: 411.5205

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)COC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(C)C)COC3=CC=CC=C3

InChI

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