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

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

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)NC(C)(C)C)C3=CN=CC=C3

InChI

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