2-azanyl-4-(4-oxidanylcyclohexyl)-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-oxidanylcyclohexyl)-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-hydroxycyclohexyl)-6-(3-pyridylmethylsulfanyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-hydroxycyclohexyl)-6-(3-pyridinylmethylthio)pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-hydroxycyclohexyl)-6-(pyridin-3-ylmethylsulfanyl)pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-hydroxycyclohexyl)-6-(3-pyridylmethylthio)dinicotinonitrile Formula: C19H19N5OS MolecularWeight: 365.45206

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=C(C(=NC(=C2C#N)SCC3=CN=CC=C3)N)C#N)O

Isomeric SMILES

C1CC(CCC1C2=C(C(=NC(=C2C#N)SCC3=CN=CC=C3)N)C#N)O

InChI

InChI=1S/C19H19N5OS/c20-8-15-17(13-3-5-14(25)6-4-13)16(9-21)19(24-18(15)22)26-11-12-2-1-7-23-10-12/h1-2,7,10,13-14,25H,3-6,11H2,(H2,22,24)