2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethyl-pyridine-3-carbonitrile CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4,6-dimethyl-3-pyridinecarbonitrile IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4,6-dimethyl-nicotinonitrile Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SC2=CC3=C(C=C2)OCCCO3)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SC2=CC3=C(C=C2)OCCCO3)C

InChI

InChI=1S/C17H16N2O2S/c1-11-8-12(2)19-17(14(11)10-18)22-13-4-5-15-16(9-13)21-7-3-6-20-15/h4-5,8-9H,3,6-7H2,1-2H3