3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzonitrile CAS Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzonitrile IUPAC Name: 3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanylmethyl)benzonitrile Traditional Name: 3-[(2,3-dihydro-1,4-benzodioxin-6-ylthio)methyl]benzonitrile Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13NO2S/c17-10-12-2-1-3-13(8-12)11-20-14-4-5-15-16(9-14)19-7-6-18-15/h1-5,8-9H,6-7,11H2