2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-ethanoyl-6-methyl-pyridine-3-carbonitrile Openeye Name: 5-acetyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methyl-pyridine-3-carbonitrile CAS Name: 5-acetyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-3-pyridinecarbonitrile IUPAC Name: 5-acetyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile Traditional Name: 5-acetyl-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-6-methyl-nicotinonitrile Formula: C17H13ClN2O3S MolecularWeight: 360.81472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC2=CC3=C(C(=C2)Cl)OCO3)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC2=CC3=C(C(=C2)Cl)OCO3)C#N)C(=O)C

InChI

InChI=1S/C17H13ClN2O3S/c1-9-13(10(2)21)5-12(6-19)17(20-9)24-7-11-3-14(18)16-15(4-11)22-8-23-16/h3-5H,7-8H2,1-2H3