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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H25N5OS/c1-4-26-20(17-8-6-5-7-9-17)23-24-21(26)28-15-19(27)22-14-16-10-12-18(13-11-16)25(2)3/h5-13H,4,14-15H2,1-3H3,(H,22,27)