N-tert-butyl-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-tert-butyl-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-tert-butyl-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-tert-butyl-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-tert-butyl-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-tert-butyl-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C20H28N4OS MolecularWeight: 372.52752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CCCCC3

Isomeric SMILES

CC(C)(C)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3CCCCC3

InChI

InChI=1S/C20H28N4OS/c1-20(2,3)21-17(25)14-26-19-23-22-18(15-10-6-4-7-11-15)24(19)16-12-8-5-9-13-16/h5,8-9,12-13,15H,4,6-7,10-11,14H2,1-3H3,(H,21,25)