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

Systemtic Name: 4-[(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]aniline Openeye Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]aniline CAS Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]aniline IUPAC Name: 4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylsulfanyl]aniline Traditional Name: [4-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylthio]phenyl]amine Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClNO2S/c17-14-8-11(9-15-16(14)20-7-1-6-19-15)10-21-13-4-2-12(18)3-5-13/h2-5,8-9H,1,6-7,10,18H2