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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]ethanamide Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-[(4-chlorophenyl)methyl]acetamide IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide Traditional Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(4-chlorobenzyl)acetamide Formula: C15H19ClN4OS MolecularWeight: 338.85556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4OS/c1-15(2,3)13-18-14(20-19-13)22-9-12(21)17-8-10-4-6-11(16)7-5-10/h4-7H,8-9H2,1-3H3,(H,17,21)(H,18,19,20)