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

Systemtic Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-20(2,3)22-17(26)13-27-19-24-23-18(14-9-11-15(21)12-10-14)25(19)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,22,26)