2-(2-hydroxyethylamino)-6-[(5-nitrofuran-2-yl)methylsulfanyl]-4-phenyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-(2-hydroxyethylamino)-6-[(5-nitrofuran-2-yl)methylsulfanyl]-4-phenyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-(2-hydroxyethylamino)-6-[(5-nitro-2-furyl)methylsulfanyl]-4-phenyl-pyridine-3,5-dicarbonitrile CAS Name: 2-(2-hydroxyethylamino)-6-[(5-nitro-2-furanyl)methylthio]-4-phenylpyridine-3,5-dicarbonitrile IUPAC Name: 2-(2-hydroxyethylamino)-6-[(5-nitrofuran-2-yl)methylsulfanyl]-4-phenylpyridine-3,5-dicarbonitrile Traditional Name: 2-(2-hydroxyethylamino)-6-[(5-nitro-2-furyl)methylthio]-4-phenyl-dinicotinonitrile Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=C(O3)[N+](=O)[O-])NCCO)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC3=CC=C(O3)[N+](=O)[O-])NCCO)C#N

InChI

InChI=1S/C20H15N5O4S/c21-10-15-18(13-4-2-1-3-5-13)16(11-22)20(24-19(15)23-8-9-26)30-12-14-6-7-17(29-14)25(27)28/h1-7,26H,8-9,12H2,(H,23,24)