1-(4-ethylpiperazin-1-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one Openeye Name: 1-(4-ethylpiperazin-1-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanyl-butan-1-one CAS Name: 1-(4-ethyl-1-piperazinyl)-4-[(1,4,5-triphenyl-2-imidazolyl)thio]-1-butanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutan-1-one Traditional Name: 1-(4-ethylpiperazino)-4-[(1,4,5-triphenylimidazol-2-yl)thio]butan-1-one Formula: C31H34N4OS MolecularWeight: 510.69286

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H34N4OS/c1-2-33-20-22-34(23-21-33)28(36)19-12-24-37-31-32-29(25-13-6-3-7-14-25)30(26-15-8-4-9-16-26)35(31)27-17-10-5-11-18-27/h3-11,13-18H,2,12,19-24H2,1H3