2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfanylphenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfanylphenyl]ethanenitrile Openeye Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfanylphenyl]acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-[[4-[(3-nitrophenyl)methoxy]phenyl]thio]phenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-[4-[(3-nitrophenyl)methoxy]phenyl]sulfanylphenyl]acetonitrile Traditional Name: 2-(4-cyclohexylpiperazino)-2-[4-[[4-(3-nitrobenzyl)oxyphenyl]thio]phenyl]acetonitrile Formula: C31H34N4O3S MolecularWeight: 542.69166

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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(=CC=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(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H34N4O3S/c32-22-31(34-19-17-33(18-20-34)26-6-2-1-3-7-26)25-9-13-29(14-10-25)39-30-15-11-28(12-16-30)38-23-24-5-4-8-27(21-24)35(36)37/h4-5,8-16,21,26,31H,1-3,6-7,17-20,23H2