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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC=C3C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC3=CC=CC=C3C#N

InChI

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