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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H24N6O2S2/c1-3-16-5-7-17(8-6-16)24-19(14-28)25(30)33-26(20(24)15-29)36-12-11-23(34)32-27-31-21-10-9-18(35-4-2)13-22(21)37-27/h5-10,13H,3-4,11-12H2,1-2H3,(H2,30,33)(H,31,32,34)