2-methyl-1-(4-methylsulfanylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole

Systemtic Name: 2-methyl-1-(4-methylsulfanylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole Openeye Name: 2-methyl-1-(4-methylsulfanylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole CAS Name: 2-methyl-1-[4-(methylthio)phenyl]-1,3,3a,4,7,7a-hexahydroisoindole IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole Traditional Name: 2-methyl-1-[4-(methylthio)phenyl]-1,3,3a,4,7,7a-hexahydroisoindole Formula: C16H21NS MolecularWeight: 259.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CC=CCC2C1C3=CC=C(C=C3)SC

Isomeric SMILES

CN1CC2CC=CCC2C1C3=CC=C(C=C3)SC

InChI

InChI=1S/C16H21NS/c1-17-11-13-5-3-4-6-15(13)16(17)12-7-9-14(18-2)10-8-12/h3-4,7-10,13,15-16H,5-6,11H2,1-2H3