[3-(2-azanyl-2-ethyl-hexyl)sulfanylpyridin-4-yl]-phenyl-methanone

Systemtic Name: [3-(2-azanyl-2-ethyl-hexyl)sulfanylpyridin-4-yl]-phenyl-methanone Openeye Name: [3-(2-amino-2-ethyl-hexyl)sulfanyl-4-pyridyl]-phenyl-methanone CAS Name: [3-[(2-amino-2-ethylhexyl)thio]-4-pyridinyl]-phenylmethanone IUPAC Name: [3-(2-amino-2-ethylhexyl)sulfanylpyridin-4-yl]-phenylmethanone Traditional Name: [3-[(2-amino-2-ethyl-hexyl)thio]-4-pyridyl]-phenyl-methanone Formula: C20H26N2OS MolecularWeight: 342.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(CSC1=C(C=CN=C1)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCCCC(CC)(CSC1=C(C=CN=C1)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C20H26N2OS/c1-3-5-12-20(21,4-2)15-24-18-14-22-13-11-17(18)19(23)16-9-7-6-8-10-16/h6-11,13-14H,3-5,12,15,21H2,1-2H3