4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanylmethyl]benzonitrile CAS Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]methyl]benzonitrile IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanylmethyl]benzonitrile Traditional Name: 4-[[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]methyl]benzonitrile Formula: C18H16ClNO2S MolecularWeight: 345.84314

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSCC3=CC=C(C=C3)C#N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSCC3=CC=C(C=C3)C#N)Cl)OC1

InChI

InChI=1S/C18H16ClNO2S/c19-16-8-15(9-17-18(16)22-7-1-6-21-17)12-23-11-14-4-2-13(10-20)3-5-14/h2-5,8-9H,1,6-7,11-12H2