2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-phenylmethoxyphenyl)sulfanylphenyl]ethanenitrile

Systemtic Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-phenylmethoxyphenyl)sulfanylphenyl]ethanenitrile Openeye Name: 2-[4-(4-benzyloxyphenyl)sulfanylphenyl]-2-(4-cyclohexylpiperazin-1-yl)acetonitrile CAS Name: 2-(4-cyclohexyl-1-piperazinyl)-2-[4-[(4-phenylmethoxyphenyl)thio]phenyl]acetonitrile IUPAC Name: 2-(4-cyclohexylpiperazin-1-yl)-2-[4-(4-phenylmethoxyphenyl)sulfanylphenyl]acetonitrile Traditional Name: 2-[4-[(4-benzoxyphenyl)thio]phenyl]-2-(4-cyclohexylpiperazino)acetonitrile Formula: C31H35N3OS MolecularWeight: 497.6941

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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

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(C#N)C3=CC=C(C=C3)SC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C31H35N3OS/c32-23-31(34-21-19-33(20-22-34)27-9-5-2-6-10-27)26-11-15-29(16-12-26)36-30-17-13-28(14-18-30)35-24-25-7-3-1-4-8-25/h1,3-4,7-8,11-18,27,31H,2,5-6,9-10,19-22,24H2