N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-pentyl-benzamide

Systemtic Name: N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-pentyl-benzamide Openeye Name: N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-pentyl-benzamide CAS Name: N-[2-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-4-pentylbenzamide IUPAC Name: N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-pentylbenzamide Traditional Name: 4-amyl-N-[2-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]benzamide Formula: C31H35N3OS MolecularWeight: 497.6941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)NCCSC2=NC(=C(N2CC)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)NCCSC2=NC(=C(N2CC)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C31H35N3OS/c1-3-5-8-13-24-18-20-27(21-19-24)30(35)32-22-23-36-31-33-28(25-14-9-6-10-15-25)29(34(31)4-2)26-16-11-7-12-17-26/h6-7,9-12,14-21H,3-5,8,13,22-23H2,1-2H3,(H,32,35)