2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1H-indol-6-yl)ethanamide

Systemtic Name: 2-[6-azanyl-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1H-indol-6-yl)ethanamide Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]sulfanyl]-N-(1H-indol-6-yl)acetamide CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridinyl]thio]-N-(1H-indol-6-yl)acetamide IUPAC Name: 2-[6-amino-3,5-dicyano-4-(4-ethylphenyl)pyridin-2-yl]sulfanyl-N-(1H-indol-6-yl)acetamide Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ethylphenyl)-2-pyridyl]thio]-N-(1H-indol-6-yl)acetamide Formula: C25H20N6OS MolecularWeight: 452.5309

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC4=C(C=C3)C=CN4)N)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)NC3=CC4=C(C=C3)C=CN4)N)C#N

InChI

InChI=1S/C25H20N6OS/c1-2-15-3-5-17(6-4-15)23-19(12-26)24(28)31-25(20(23)13-27)33-14-22(32)30-18-8-7-16-9-10-29-21(16)11-18/h3-11,29H,2,14H2,1H3,(H2,28,31)(H,30,32)