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

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C16H13ClN2O2S MolecularWeight: 332.80462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2Cl)OCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C=C2Cl)OCO3)C

InChI

InChI=1S/C16H13ClN2O2S/c1-9-3-10(2)19-16(12(9)6-18)22-7-11-4-14-15(5-13(11)17)21-8-20-14/h3-5H,7-8H2,1-2H3