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

Systemtic Name: 3-[6-azanyl-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Openeye Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]sulfanyl]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide CAS Name: 3-[[6-amino-3,5-dicyano-4-(4-methylphenyl)-2-pyridinyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide IUPAC Name: 3-[6-amino-3,5-dicyano-4-(4-methylphenyl)pyridin-2-yl]sulfanyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide Traditional Name: 3-[[6-amino-3,5-dicyano-4-(p-tolyl)-2-pyridyl]thio]-N-(6-ethoxy-1,3-benzothiazol-2-yl)propionamide Formula: C26H22N6O2S2 MolecularWeight: 514.62188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C)C#N

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)CCSC3=C(C(=C(C(=N3)N)C#N)C4=CC=C(C=C4)C)C#N

InChI

InChI=1S/C26H22N6O2S2/c1-3-34-17-8-9-20-21(12-17)36-26(30-20)31-22(33)10-11-35-25-19(14-28)23(18(13-27)24(29)32-25)16-6-4-15(2)5-7-16/h4-9,12H,3,10-11H2,1-2H3,(H2,29,32)(H,30,31,33)