(R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-[3-bromanyl-1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methanol

Systemtic Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-[3-bromanyl-1,1-bis(oxidanylidene)-1-benzothiophen-2-yl]methanol Openeye Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-(3-bromo-1,1-dioxo-benzothiophen-2-yl)methanol CAS Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-(3-bromo-1,1-dioxo-1-benzothiophen-2-yl)methanol IUPAC Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]-(3-bromo-1,1-dioxo-1-benzothiophen-2-yl)methanol Traditional Name: (R)-[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopent[f]indazol-5-yl]-(3-bromo-1,1-diketo-benzothiophen-2-yl)methanol Formula: C26H22BrFN2O3S MolecularWeight: 541.431883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CC3=C(C=C1CCC2C(C4=C(C5=CC=CC=C5S4(=O)=O)Br)O)N(N=C3)C6=CC=C(C=C6)F

Isomeric SMILES

C[C@]12CC3=C(C=C1CC[C@@H]2[C@H](C4=C(C5=CC=CC=C5S4(=O)=O)Br)O)N(N=C3)C6=CC=C(C=C6)F

InChI

InChI=1S/C26H22BrFN2O3S/c1-26-13-15-14-29-30(18-9-7-17(28)8-10-18)21(15)12-16(26)6-11-20(26)24(31)25-23(27)19-4-2-3-5-22(19)34(25,32)33/h2-5,7-10,12,14,20,24,31H,6,11,13H2,1H3/t20-,24-,26+/m1/s1