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

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,5,6-trimethyl-pyridine-3-carboxamide CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4,5,6-trimethyl-3-pyridinecarboxamide IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]-4,5,6-trimethylpyridine-3-carboxamide Traditional Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-4,5,6-trimethyl-nicotinamide Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C(=O)N)SCC2=CC3=C(C(=C2)Cl)OCCCO3)C

InChI

InChI=1S/C19H21ClN2O3S/c1-10-11(2)16(18(21)23)19(22-12(10)3)26-9-13-7-14(20)17-15(8-13)24-5-4-6-25-17/h7-8H,4-6,9H2,1-3H3,(H2,21,23)