2-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 2-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 2-[(3-oxo-4H-quinoxalin-2-yl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 2-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 2-[(3-keto-4H-quinoxalin-2-yl)methylthio]-6-phenyl-nicotinonitrile Formula: C21H14N4OS MolecularWeight: 370.42706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=NC4=CC=CC=C4NC3=O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=NC4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H14N4OS/c22-12-15-10-11-16(14-6-2-1-3-7-14)25-21(15)27-13-19-20(26)24-18-9-5-4-8-17(18)23-19/h1-11H,13H2,(H,24,26)