2-methyl-7-(4-methylsulfanylphenyl)-1,3,3a,4,5,7a-hexahydroisoindole

Systemtic Name: 2-methyl-7-(4-methylsulfanylphenyl)-1,3,3a,4,5,7a-hexahydroisoindole Openeye Name: 2-methyl-7-(4-methylsulfanylphenyl)-1,3,3a,4,5,7a-hexahydroisoindole CAS Name: 2-methyl-7-[4-(methylthio)phenyl]-1,3,3a,4,5,7a-hexahydroisoindole IUPAC Name: 2-methyl-7-(4-methylsulfanylphenyl)-1,3,3a,4,5,7a-hexahydroisoindole Traditional Name: 2-methyl-7-[4-(methylthio)phenyl]-1,3,3a,4,5,7a-hexahydroisoindole Formula: C16H21NS MolecularWeight: 259.40964

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2CCC=C(C2C1)C3=CC=C(C=C3)SC

Isomeric SMILES

CN1CC2CCC=C(C2C1)C3=CC=C(C=C3)SC

InChI

InChI=1S/C16H21NS/c1-17-10-13-4-3-5-15(16(13)11-17)12-6-8-14(18-2)9-7-12/h5-9,13,16H,3-4,10-11H2,1-2H3