2-(1,3-dioxan-4-ylmethylsulfanyl)-5-methyl-aniline

Systemtic Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-5-methyl-aniline Openeye Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-5-methyl-aniline CAS Name: 2-(1,3-dioxan-4-ylmethylthio)-5-methylaniline IUPAC Name: 2-(1,3-dioxan-4-ylmethylsulfanyl)-5-methylaniline Traditional Name: [2-(1,3-dioxan-4-ylmethylthio)-5-methyl-phenyl]amine Formula: C12H17NO2S MolecularWeight: 239.33388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2CCOCO2)N

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2CCOCO2)N

InChI

InChI=1S/C12H17NO2S/c1-9-2-3-12(11(13)6-9)16-7-10-4-5-14-8-15-10/h2-3,6,10H,4-5,7-8,13H2,1H3