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

Systemtic Name: N-butan-2-yl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C20H29ClN4OS MolecularWeight: 408.98846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SCC(=O)NC(C)CC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SCC(=O)NC(C)CC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H29ClN4OS/c1-4-6-7-8-13-25-19(16-9-11-17(21)12-10-16)23-24-20(25)27-14-18(26)22-15(3)5-2/h9-12,15H,4-8,13-14H2,1-3H3,(H,22,26)