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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=C3C(=CC(=C2)Cl)COCO3)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=C3C(=CC(=C2)Cl)COCO3)N

InChI

InChI=1S/C16H16ClNO2S/c1-10-2-3-15(14(18)4-10)21-8-12-6-13(17)5-11-7-19-9-20-16(11)12/h2-6H,7-9,18H2,1H3