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

Systemtic Name: N-tert-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-(2-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C14H17ClN4OS MolecularWeight: 324.82898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NNC(=N1)C2=CC=CC=C2Cl

InChI

InChI=1S/C14H17ClN4OS/c1-14(2,3)17-11(20)8-21-13-16-12(18-19-13)9-6-4-5-7-10(9)15/h4-7H,8H2,1-3H3,(H,17,20)(H,16,18,19)