3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-pyridin-4-yl-propanamide

Systemtic Name: 3-(6-azanyl-3,5-dicyano-4-propan-2-yl-pyridin-2-yl)sulfanyl-N-pyridin-4-yl-propanamide Openeye Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)sulfanyl]-N-(4-pyridyl)propanamide CAS Name: 3-[(6-amino-3,5-dicyano-4-propan-2-yl-2-pyridinyl)thio]-N-pyridin-4-ylpropanamide IUPAC Name: 3-(6-amino-3,5-dicyano-4-propan-2-ylpyridin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide Traditional Name: 3-[(6-amino-3,5-dicyano-4-isopropyl-2-pyridyl)thio]-N-(4-pyridyl)propionamide Formula: C18H18N6OS MolecularWeight: 366.44012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=CC=NC=C2)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCCC(=O)NC2=CC=NC=C2)N)C#N

InChI

InChI=1S/C18H18N6OS/c1-11(2)16-13(9-19)17(21)24-18(14(16)10-20)26-8-5-15(25)23-12-3-6-22-7-4-12/h3-4,6-7,11H,5,8H2,1-2H3,(H2,21,24)(H,22,23,25)