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

Systemtic Name: 4-tert-butyl-N-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide CAS Name: 4-tert-butyl-N-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]benzamide Traditional Name: 4-tert-butyl-N-[3-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]propanoyl]benzamide Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2C3CC3)C4CC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CCSC2=NN=C(N2C3CC3)C4CC4

InChI

InChI=1S/C22H28N4O2S/c1-22(2,3)16-8-6-15(7-9-16)20(28)23-18(27)12-13-29-21-25-24-19(14-4-5-14)26(21)17-10-11-17/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,23,27,28)