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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]ethanamide Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]acetamide CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-[(4-dimethylaminophenyl)methyl]acetamide IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-dimethylaminophenyl)methyl]acetamide Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-[4-(dimethylamino)benzyl]acetamide Formula: C17H25N5OS MolecularWeight: 347.4783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC(=O)NCC2=CC=C(C=C2)N(C)C

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC(=O)NCC2=CC=C(C=C2)N(C)C

InChI

InChI=1S/C17H25N5OS/c1-17(2,3)15-19-16(21-20-15)24-11-14(23)18-10-12-6-8-13(9-7-12)22(4)5/h6-9H,10-11H2,1-5H3,(H,18,23)(H,19,20,21)