4-tert-butyl-N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C3=CC=NC=C3

InChI

InChI=1S/C22H25N5O2S/c1-5-27-19(15-10-12-23-13-11-15)25-26-21(27)30-14-18(28)24-20(29)16-6-8-17(9-7-16)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,24,28,29)