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

Systemtic Name: 2-(6-azanyl-3,5-dicyano-4-thiophen-3-yl-pyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]sulfanyl]-N-(4-phenoxyphenyl)butanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(3-thiophenyl)-2-pyridinyl]thio]-N-(4-phenoxyphenyl)butanamide IUPAC Name: 2-(6-amino-3,5-dicyano-4-thiophen-3-ylpyridin-2-yl)sulfanyl-N-(4-phenoxyphenyl)butanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(3-thienyl)-2-pyridyl]thio]-N-(4-phenoxyphenyl)butyramide Formula: C27H21N5O2S2 MolecularWeight: 511.61794

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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=CSC=C4)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=CSC=C4)C#N

InChI

InChI=1S/C27H21N5O2S2/c1-2-23(26(33)31-18-8-10-20(11-9-18)34-19-6-4-3-5-7-19)36-27-22(15-29)24(17-12-13-35-16-17)21(14-28)25(30)32-27/h3-13,16,23H,2H2,1H3,(H2,30,32)(H,31,33)