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

Systemtic Name: N-hexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-hexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-hexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-hexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-hexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

Isomeric SMILES

CCCCCCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC(=CC=C3)OC

InChI

InChI=1S/C23H28N4O2S/c1-3-4-5-9-15-24-21(28)17-30-23-26-25-22(18-11-10-14-20(16-18)29-2)27(23)19-12-7-6-8-13-19/h6-8,10-14,16H,3-5,9,15,17H2,1-2H3,(H,24,28)