7-(pyridin-3-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile

Systemtic Name: 7-(pyridin-3-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile Openeye Name: 7-(3-pyridylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile CAS Name: 7-(3-pyridinylmethylthio)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile IUPAC Name: 7-(pyridin-3-ylmethylsulfanyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile Traditional Name: 7-(3-pyridylmethylthio)-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbonitrile Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C3C=C(C(=NC3=C2)SCC4=CN=CC=C4)C#N

Isomeric SMILES

C1COC2=C(O1)C=C3C=C(C(=NC3=C2)SCC4=CN=CC=C4)C#N

InChI

InChI=1S/C18H13N3O2S/c19-9-14-6-13-7-16-17(23-5-4-22-16)8-15(13)21-18(14)24-11-12-2-1-3-20-10-12/h1-3,6-8,10H,4-5,11H2