N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(7-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylthio)nicotinamide Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2Cl)OCCCO3

InChI

InChI=1S/C16H15ClN2O3S/c1-23-16-10(4-2-5-18-16)15(20)19-12-9-14-13(8-11(12)17)21-6-3-7-22-14/h2,4-5,8-9H,3,6-7H2,1H3,(H,19,20)