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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

Isomeric SMILES

CCC(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3Cl

InChI

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