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

Systemtic Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)ethanamide Openeye Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(o-tolyl)acetamide CAS Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(2-methylphenyl)acetamide IUPAC Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide Traditional Name: 2-[[5-(4-dimethylaminophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-N-(o-tolyl)acetamide Formula: C21H25N5OS MolecularWeight: 395.5211

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C)C3=CC=C(C=C3)N(C)C

InChI

InChI=1S/C21H25N5OS/c1-5-26-20(16-10-12-17(13-11-16)25(3)4)23-24-21(26)28-14-19(27)22-18-9-7-6-8-15(18)2/h6-13H,5,14H2,1-4H3,(H,22,27)