2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine

Systemtic Name: 2-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine Openeye Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine CAS Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-pyridinamine IUPAC Name: 2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine Traditional Name: [2-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-pyridyl]amine Formula: C15H15ClN2O2S MolecularWeight: 322.8098

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C(=CC(=C2)CSC3=C(C=CC=N3)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=C(C=CC=N3)N)Cl)OC1

InChI

InChI=1S/C15H15ClN2O2S/c16-11-7-10(8-13-14(11)20-6-2-5-19-13)9-21-15-12(17)3-1-4-18-15/h1,3-4,7-8H,2,5-6,9,17H2