2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-(4-methoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-(4-methoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-6-(4-methoxyphenyl)nicotinonitrile Formula: C21H15ClN2O3S MolecularWeight: 410.8734

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC4=C(C=C3Cl)OCO4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC3=CC4=C(C=C3Cl)OCO4

InChI

InChI=1S/C21H15ClN2O3S/c1-25-16-5-2-13(3-6-16)18-7-4-14(10-23)21(24-18)28-11-15-8-19-20(9-17(15)22)27-12-26-19/h2-9H,11-12H2,1H3