3,3,5,6,7-pentamethyl-1-methylsulfanyl-4H-isoquinoline

Systemtic Name: 3,3,5,6,7-pentamethyl-1-methylsulfanyl-4H-isoquinoline Openeye Name: 3,3,5,6,7-pentamethyl-1-methylsulfanyl-4H-isoquinoline CAS Name: 3,3,5,6,7-pentamethyl-1-(methylthio)-4H-isoquinoline IUPAC Name: 3,3,5,6,7-pentamethyl-1-methylsulfanyl-4H-isoquinoline Traditional Name: 3,3,5,6,7-pentamethyl-1-(methylthio)-4H-isoquinoline Formula: C15H21NS MolecularWeight: 247.39894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(N=C(C2=C1)SC)(C)C)C)C

Isomeric SMILES

CC1=C(C(=C2CC(N=C(C2=C1)SC)(C)C)C)C

InChI

InChI=1S/C15H21NS/c1-9-7-12-13(11(3)10(9)2)8-15(4,5)16-14(12)17-6/h7H,8H2,1-6H3