2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-phenyl-pyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Openeye Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide CAS Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridinyl)thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-phenylpyridin-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide Traditional Name: 2-[(6-amino-3,5-dicyano-4-phenyl-2-pyridyl)thio]-N-homoveratryl-butyramide Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

Isomeric SMILES

CCC(C(=O)NCCC1=CC(=C(C=C1)OC)OC)SC2=C(C(=C(C(=N2)N)C#N)C3=CC=CC=C3)C#N

InChI

InChI=1S/C27H27N5O3S/c1-4-23(26(33)31-13-12-17-10-11-21(34-2)22(14-17)35-3)36-27-20(16-29)24(18-8-6-5-7-9-18)19(15-28)25(30)32-27/h5-11,14,23H,4,12-13H2,1-3H3,(H2,30,32)(H,31,33)