2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-aniline

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-aniline Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methyl-aniline CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-methylaniline IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-methylaniline Traditional Name: [2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]-5-methyl-phenyl]amine Formula: C15H14ClNO2S MolecularWeight: 307.79516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC3=C(C=C2Cl)OCO3)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC3=C(C=C2Cl)OCO3)N

InChI

InChI=1S/C15H14ClNO2S/c1-9-2-3-15(12(17)4-9)20-7-10-5-13-14(6-11(10)16)19-8-18-13/h2-6H,7-8,17H2,1H3