2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(2S)-5-methylhexan-2-yl]ethanamide

Systemtic Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(2S)-5-methylhexan-2-yl]ethanamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]acetamide CAS Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-[(2S)-5-methylhexan-2-yl]acetamide IUPAC Name: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-[(2S)-5-methylhexan-2-yl]acetamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]acetamide Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)CSC1=NC(=C(N=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H28N4OS/c1-17(2)14-15-18(3)25-21(29)16-30-24-26-22(19-10-6-4-7-11-19)23(27-28-24)20-12-8-5-9-13-20/h4-13,17-18H,14-16H2,1-3H3,(H,25,29)/t18-/m0/s1