2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4,6-dimethyl-nicotinonitrile Formula: C18H17ClN2O2S MolecularWeight: 360.85778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C18H17ClN2O2S/c1-11-6-12(2)21-18(14(11)9-20)24-10-13-7-15(19)17-16(8-13)22-4-3-5-23-17/h6-8H,3-5,10H2,1-2H3