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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)N(C)C

InChI

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