N-butyl-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butyl-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H29N5OS MolecularWeight: 423.57426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CSC1=NN=C(N1C2=C(C=CC=C2CC)CC)C3=CN=CC=C3

Isomeric SMILES

CCCCNC(=O)CSC1=NN=C(N1C2=C(C=CC=C2CC)CC)C3=CN=CC=C3

InChI

InChI=1S/C23H29N5OS/c1-4-7-14-25-20(29)16-30-23-27-26-22(19-12-9-13-24-15-19)28(23)21-17(5-2)10-8-11-18(21)6-3/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,29)