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

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C22H27N5OS MolecularWeight: 409.54768

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C22H27N5OS/c1-4-27-21(18-10-12-19(13-11-18)26(2)3)24-25-22(27)29-16-20(28)23-15-14-17-8-6-5-7-9-17/h5-13H,4,14-16H2,1-3H3,(H,23,28)