2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(4-nitrophenyl)methoxy]phenyl]sulfanylphenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(4-nitrophenyl)methoxy]phenyl]sulfanylphenyl]ethanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(4-nitrophenyl)methoxy]phenyl]sulfanylphenyl]acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-[[4-[(4-nitrophenyl)methoxy]phenyl]thio]phenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(4-nitrophenyl)methoxy]phenyl]sulfanylphenyl]acetonitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-[[4-(4-nitrobenzyl)oxyphenyl]thio]phenyl]acetonitrile Formula: C31H34N4O3S MolecularWeight: 542.69166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)SC4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)SC4=CC=C(C=C4)OCC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H34N4O3S/c32-22-31(34-20-18-33(19-21-34)26-4-2-1-3-5-26)25-8-14-29(15-9-25)39-30-16-12-28(13-17-30)38-23-24-6-10-27(11-7-24)35(36)37/h6-17,26,31H,1-5,18-21,23H2