(Z)-7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentyl-hept-2-enoate

Systemtic Name: (Z)-7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentyl-hept-2-enoate Openeye Name: (Z)-7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentyl-hept-2-enoate CAS Name: (Z)-7-[(4,5-diphenyl-1H-imidazol-2-yl)thio]-2-pentyl-2-heptenoate IUPAC Name: (Z)-7-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-2-pentylhept-2-enoate Traditional Name: (Z)-2-amyl-7-[(4,5-diphenyl-1H-imidazol-2-yl)thio]hept-2-enoate Formula: C27H31N2O2S- MolecularWeight: 447.61224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CCCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCCCC/C(=C/CCCCSC1=NC(=C(N1)C2=CC=CC=C2)C3=CC=CC=C3)/C(=O)[O-]

InChI

InChI=1S/C27H32N2O2S/c1-2-3-7-18-23(26(30)31)19-12-6-13-20-32-27-28-24(21-14-8-4-9-15-21)25(29-27)22-16-10-5-11-17-22/h4-5,8-11,14-17,19H,2-3,6-7,12-13,18,20H2,1H3,(H,28,29)(H,30,31)/p-1/b23-19-