6-methoxy-2-(pyridin-3-ylmethylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 6-methoxy-2-(pyridin-3-ylmethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 6-methoxy-2-(3-pyridylmethylsulfanyl)quinoline-3-carbonitrile CAS Name: 6-methoxy-2-(3-pyridinylmethylthio)-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-2-(pyridin-3-ylmethylsulfanyl)quinoline-3-carbonitrile Traditional Name: 6-methoxy-2-(3-pyridylmethylthio)quinoline-3-carbonitrile Formula: C17H13N3OS MolecularWeight: 307.36962

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CN=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=C2)C#N)SCC3=CN=CC=C3

InChI

InChI=1S/C17H13N3OS/c1-21-15-4-5-16-13(8-15)7-14(9-18)17(20-16)22-11-12-3-2-6-19-10-12/h2-8,10H,11H2,1H3