4-tert-butyl-N-[3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzamide CAS Name: 4-tert-butyl-N-[1-oxo-3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]thio]propyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[[4-(2-thiophen-2-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[[4-[2-(2-thienyl)ethyl]-1,2,4-triazol-3-yl]thio]propanoyl]benzamide Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=CN2CCC3=CC=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=CN2CCC3=CC=CS3

InChI

InChI=1S/C22H26N4O2S2/c1-22(2,3)17-8-6-16(7-9-17)20(28)24-19(27)11-14-30-21-25-23-15-26(21)12-10-18-5-4-13-29-18/h4-9,13,15H,10-12,14H2,1-3H3,(H,24,27,28)