2-(3-methoxyphenyl)-5-[1-(8-methoxyquinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile

Systemtic Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxyquinolin-5-yl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile Openeye Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-5-quinolyl)ethyl-methyl-amino]-2-phenylsulfanyl-pentanenitrile CAS Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-5-quinolinyl)ethyl-methylamino]-2-(phenylthio)pentanenitrile IUPAC Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxyquinolin-5-yl)ethyl-methylamino]-2-phenylsulfanylpentanenitrile Traditional Name: 2-(3-methoxyphenyl)-5-[1-(8-methoxy-5-quinolyl)ethyl-methyl-amino]-2-(phenylthio)valeronitrile Formula: C31H33N3O2S MolecularWeight: 511.67762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C=CC=NC2=C(C=C1)OC)N(C)CCCC(C#N)(C3=CC(=CC=C3)OC)SC4=CC=CC=C4

Isomeric SMILES

CC(C1=C2C=CC=NC2=C(C=C1)OC)N(C)CCCC(C#N)(C3=CC(=CC=C3)OC)SC4=CC=CC=C4

InChI

InChI=1S/C31H33N3O2S/c1-23(27-16-17-29(36-4)30-28(27)15-9-19-33-30)34(2)20-10-18-31(22-32,37-26-13-6-5-7-14-26)24-11-8-12-25(21-24)35-3/h5-9,11-17,19,21,23H,10,18,20H2,1-4H3