2-[(3R,4R,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]-5-phenyl-1,3,4-thiadiazole

Systemtic Name: 2-[(3R,4R,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]-5-phenyl-1,3,4-thiadiazole Openeye Name: 2-[(3R,4R,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]-5-phenyl-1,3,4-thiadiazole CAS Name: 2-[(3R,4R,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]-5-phenyl-1,3,4-thiadiazole IUPAC Name: 2-[(3R,4R,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphtho[1,2-f]indazol-4-yl]-5-phenyl-1,3,4-thiadiazole Traditional Name: 2-[(3R,4R,11aS)-8-(4-fluorophenyl)-11a-methyl-3-(trifluoromethyl)-3,4,4a,5,6,11-hexahydro-2H-naphth[1,2-f]indazol-4-yl]-5-phenyl-1,3,4-thiadiazole Formula: C31H26F4N4S MolecularWeight: 562.623553

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3=C(C=C1CCC4C2=CCC(C4C5=NN=C(S5)C6=CC=CC=C6)C(F)(F)F)N(N=C3)C7=CC=C(C=C7)F

Isomeric SMILES

C[C@]12CC3=C(C=C1CCC4C2=CC[C@H]([C@@H]4C5=NN=C(S5)C6=CC=CC=C6)C(F)(F)F)N(N=C3)C7=CC=C(C=C7)F

InChI

InChI=1S/C31H26F4N4S/c1-30-16-19-17-36-39(22-10-8-21(32)9-11-22)26(19)15-20(30)7-12-23-24(30)13-14-25(31(33,34)35)27(23)29-38-37-28(40-29)18-5-3-2-4-6-18/h2-6,8-11,13,15,17,23,25,27H,7,12,14,16H2,1H3/t23?,25-,27-,30+/m1/s1