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

Systemtic Name: 6-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine Openeye Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine CAS Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]-3-pyridinamine IUPAC Name: 6-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]pyridin-3-amine Traditional Name: [6-[(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=NC=C(C=C3)N)Cl)OC1

Isomeric SMILES

C1COC2=C(C(=CC(=C2)CSC3=NC=C(C=C3)N)Cl)OC1

InChI

InChI=1S/C15H15ClN2O2S/c16-12-6-10(7-13-15(12)20-5-1-4-19-13)9-21-14-3-2-11(17)8-18-14/h2-3,6-8H,1,4-5,9,17H2