6-chloranyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3-benzodioxol-5-amine

Systemtic Name: 6-chloranyl-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3-benzodioxol-5-amine Openeye Name: 6-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3-benzodioxol-5-amine CAS Name: 6-chloro-N-[1-[4-(methylthio)phenyl]ethyl]-1,3-benzodioxol-5-amine IUPAC Name: 6-chloro-N-[1-(4-methylsulfanylphenyl)ethyl]-1,3-benzodioxol-5-amine Traditional Name: (6-chloro-1,3-benzodioxol-5-yl)-[1-[4-(methylthio)phenyl]ethyl]amine Formula: C16H16ClNO2S MolecularWeight: 321.82174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NC2=CC3=C(C=C2Cl)OCO3

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NC2=CC3=C(C=C2Cl)OCO3

InChI

InChI=1S/C16H16ClNO2S/c1-10(11-3-5-12(21-2)6-4-11)18-14-8-16-15(7-13(14)17)19-9-20-16/h3-8,10,18H,9H2,1-2H3