5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-(phenylthio)pentanenitrile IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanylpentanenitrile Traditional Name: 5-(homoveratrylamino)-2-(3-methoxyphenyl)-2-(phenylthio)valeronitrile Formula: C28H32N2O3S MolecularWeight: 476.63028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCC(C#N)(C2=CC(=CC=C2)OC)SC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCC(C#N)(C2=CC(=CC=C2)OC)SC3=CC=CC=C3)OC

InChI

InChI=1S/C28H32N2O3S/c1-31-24-10-7-9-23(20-24)28(21-29,34-25-11-5-4-6-12-25)16-8-17-30-18-15-22-13-14-26(32-2)27(19-22)33-3/h4-7,9-14,19-20,30H,8,15-18H2,1-3H3