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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethyl-pyridine-3-carboxamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethyl-pyridine-3-carboxamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4,6-dimethyl-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-4,6-dimethylpyridine-3-carboxamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-4,6-dimethyl-nicotinamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-10-8-11(2)19-17(15(10)16(18)20)23-12-4-5-13-14(9-12)22-7-3-6-21-13/h4-5,8-9H,3,6-7H2,1-2H3,(H2,18,20)