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

Systemtic Name: 4-tert-butyl-N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide CAS Name: 4-tert-butyl-N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]acetyl]benzamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C21H26N4O2S/c1-21(2,3)15-8-6-14(7-9-15)19(27)22-17(26)12-28-20-24-23-18(13-4-5-13)25(20)16-10-11-16/h6-9,13,16H,4-5,10-12H2,1-3H3,(H,22,26,27)