2-azanyl-6-(2-oxidanylidenepropylsulfanyl)-4-propan-2-yl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-(2-oxidanylidenepropylsulfanyl)-4-propan-2-yl-pyridine-3,5-dicarbonitrile Openeye Name: 2-acetonylsulfanyl-6-amino-4-isopropyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-(2-oxopropylthio)-4-propan-2-ylpyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-(2-oxopropylsulfanyl)-4-propan-2-ylpyridine-3,5-dicarbonitrile Traditional Name: 2-(acetonylthio)-6-amino-4-isopropyl-dinicotinonitrile Formula: C13H14N4OS MolecularWeight: 274.34146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)C)N)C#N

Isomeric SMILES

CC(C)C1=C(C(=NC(=C1C#N)SCC(=O)C)N)C#N

InChI

InChI=1S/C13H14N4OS/c1-7(2)11-9(4-14)12(16)17-13(10(11)5-15)19-6-8(3)18/h7H,6H2,1-3H3,(H2,16,17)