2-methyl-2-(naphtho[2,1-b][1]benzothiol-5-ylmethylamino)propane-1,3-diol

Systemtic Name: 2-methyl-2-(naphtho[2,1-b][1]benzothiol-5-ylmethylamino)propane-1,3-diol Openeye Name: 2-methyl-2-(naphtho[2,1-b]benzothiophen-5-ylmethylamino)propane-1,3-diol CAS Name: 2-methyl-2-(5-naphtho[2,1-b][1]benzothiolylmethylamino)propane-1,3-diol IUPAC Name: 2-methyl-2-(naphtho[2,1-b][1]benzothiol-5-ylmethylamino)propane-1,3-diol Traditional Name: 2-methyl-2-(naphtho[2,1-b]benzothiophen-5-ylmethylamino)propane-1,3-diol Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4S2

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C3=CC=CC=C31)C4=CC=CC=C4S2

InChI

InChI=1S/C21H21NO2S/c1-21(12-23,13-24)22-11-14-10-19-20(16-7-3-2-6-15(14)16)17-8-4-5-9-18(17)25-19/h2-10,22-24H,11-13H2,1H3