2-[4-(4-methoxyphenyl)sulfanylphenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanenitrile

Systemtic Name: 2-[4-(4-methoxyphenyl)sulfanylphenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)ethanenitrile Openeye Name: 2-[4-(4-methoxyphenyl)sulfanylphenyl]-2-[4-(1-piperidyl)-1-piperidyl]acetonitrile CAS Name: 2-[4-[(4-methoxyphenyl)thio]phenyl]-2-[4-(1-piperidinyl)-1-piperidinyl]acetonitrile IUPAC Name: 2-[4-(4-methoxyphenyl)sulfanylphenyl]-2-(4-piperidin-1-ylpiperidin-1-yl)acetonitrile Traditional Name: 2-[4-[(4-methoxyphenyl)thio]phenyl]-2-(4-piperidinopiperidino)acetonitrile Formula: C25H31N3OS MolecularWeight: 421.59814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)SC2=CC=C(C=C2)C(C#N)N3CCC(CC3)N4CCCCC4

Isomeric SMILES

COC1=CC=C(C=C1)SC2=CC=C(C=C2)C(C#N)N3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C25H31N3OS/c1-29-22-7-11-24(12-8-22)30-23-9-5-20(6-10-23)25(19-26)28-17-13-21(14-18-28)27-15-3-2-4-16-27/h5-12,21,25H,2-4,13-18H2,1H3