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

Systemtic Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile; ethane Openeye Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanyl-pentanenitrile; ethane CAS Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-(phenylthio)pentanenitrile; ethane IUPAC Name: 5-[2-(3,4-dimethoxyphenyl)ethylamino]-2-(3-methoxyphenyl)-2-phenylsulfanylpentanenitrile; ethane Traditional Name: ethane; 5-(homoveratrylamino)-2-(3-methoxyphenyl)-2-(phenylthio)valeronitrile Formula: C30H38N2O3S MolecularWeight: 506.69932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O3S.C2H6/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;1-2/h4-7,9-14,19-20,30H,8,15-18H2,1-3H3;1-2H3