2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanylmethyl]benzonitrile CAS Name: 2-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]methyl]benzonitrile IUPAC Name: 2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylthio]methyl]benzonitrile Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=C(C=C2Cl)CSCC3=CC=CC=C3C#N

Isomeric SMILES

C1COC2=C(O1)C=C(C=C2Cl)CSCC3=CC=CC=C3C#N

InChI

InChI=1S/C17H14ClNO2S/c18-15-7-12(8-16-17(15)21-6-5-20-16)10-22-11-14-4-2-1-3-13(14)9-19/h1-4,7-8H,5-6,10-11H2