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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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