2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-imidazol-1-ylphenyl)methyl]ethanamide Openeye Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide CAS Name: 2-[(3,5-dimethylphenyl)methylthio]-N-[[4-(1-imidazolyl)phenyl]methyl]acetamide IUPAC Name: 2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[(4-imidazol-1-ylphenyl)methyl]acetamide Traditional Name: 2-[(3,5-dimethylbenzyl)thio]-N-(4-imidazol-1-ylbenzyl)acetamide Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)CSCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)C

Isomeric SMILES

CC1=CC(=CC(=C1)CSCC(=O)NCC2=CC=C(C=C2)N3C=CN=C3)C

InChI

InChI=1S/C21H23N3OS/c1-16-9-17(2)11-19(10-16)13-26-14-21(25)23-12-18-3-5-20(6-4-18)24-8-7-22-15-24/h3-11,15H,12-14H2,1-2H3,(H,23,25)