3-[4-(3-azanyl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)anthracen-1-yl]propane-1-thiol

Systemtic Name: 3-[4-(3-azanyl-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)anthracen-1-yl]propane-1-thiol Openeye Name: 3-[4-(3-amino-3-isopropyl-6,6-dimethyl-1,2,4-trioxan-5-yl)-1-anthryl]propane-1-thiol CAS Name: 3-[4-(3-amino-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)-1-anthracenyl]-1-propanethiol IUPAC Name: 3-[4-(3-amino-6,6-dimethyl-3-propan-2-yl-1,2,4-trioxan-5-yl)anthracen-1-yl]propane-1-thiol Traditional Name: 3-[4-(3-amino-3-isopropyl-6,6-dimethyl-1,2,4-trioxan-5-yl)-1-anthryl]propane-1-thiol Formula: C25H31NO3S MolecularWeight: 425.58354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(OC(C(OO1)(C)C)C2=CC=C(C3=CC4=CC=CC=C4C=C23)CCCS)N

Isomeric SMILES

CC(C)C1(OC(C(OO1)(C)C)C2=CC=C(C3=CC4=CC=CC=C4C=C23)CCCS)N

InChI

InChI=1S/C25H31NO3S/c1-16(2)25(26)27-23(24(3,4)28-29-25)20-12-11-17(10-7-13-30)21-14-18-8-5-6-9-19(18)15-22(20)21/h5-6,8-9,11-12,14-16,23,30H,7,10,13,26H2,1-4H3