2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(2-furanyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(furan-2-yl)pyridin-2-yl]sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(2-furyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)butyramide Formula: C27H21N5O3S MolecularWeight: 495.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CO4)C#N

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=C(C(=C(C(=N3)N)C#N)C4=CC=CO4)C#N

InChI

InChI=1S/C27H21N5O3S/c1-2-23(26(33)31-17-10-12-19(13-11-17)35-18-7-4-3-5-8-18)36-27-21(16-29)24(22-9-6-14-34-22)20(15-28)25(30)32-27/h3-14,23H,2H2,1H3,(H2,30,32)(H,31,33)