2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C27H24N6O2S2 MolecularWeight: 528.64846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SC(C)C(=O)NC3=NC4=C(S3)C=C(C=C4)OCC)N)C#N

InChI

InChI=1S/C27H24N6O2S2/c1-4-16-6-8-17(9-7-16)23-19(13-28)24(30)32-26(20(23)14-29)36-15(3)25(34)33-27-31-21-11-10-18(35-5-2)12-22(21)37-27/h6-12,15H,4-5H2,1-3H3,(H2,30,32)(H,31,33,34)