2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-6-pyridin-3-yl-pyridine-3-carbonitrile

Systemtic Name: 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-6-pyridin-3-yl-pyridine-3-carbonitrile Openeye Name: 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-6-(3-pyridyl)pyridine-3-carbonitrile CAS Name: 2-[2-(1,3-dioxolan-2-yl)ethylthio]-6-(3-pyridinyl)-3-pyridinecarbonitrile IUPAC Name: 2-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile Traditional Name: 2-[2-(1,3-dioxolan-2-yl)ethylthio]-6-(3-pyridyl)nicotinonitrile Formula: C16H15N3O2S MolecularWeight: 313.3742

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(O1)CCSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N

Isomeric SMILES

C1COC(O1)CCSC2=C(C=CC(=N2)C3=CN=CC=C3)C#N

InChI

InChI=1S/C16H15N3O2S/c17-10-12-3-4-14(13-2-1-6-18-11-13)19-16(12)22-9-5-15-20-7-8-21-15/h1-4,6,11,15H,5,7-9H2