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

Systemtic Name: 4-tert-butyl-N-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]benzamide Openeye Name: 4-tert-butyl-N-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide CAS Name: 4-tert-butyl-N-[1-oxo-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethyl]benzamide IUPAC Name: 4-tert-butyl-N-[2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: 4-tert-butyl-N-[2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H22N4O2S/c1-21(2,3)16-11-9-15(10-12-16)19(27)23-18(26)13-28-20-24-22-14-25(20)17-7-5-4-6-8-17/h4-12,14H,13H2,1-3H3,(H,23,26,27)