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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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