2-(5-chloranylthiophen-2-yl)-5-[3-[(1R,5S)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-1,3,4-thiadiazole

Systemtic Name: 2-(5-chloranylthiophen-2-yl)-5-[3-[(1R,5S)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-1,3,4-thiadiazole Openeye Name: 2-(5-chloro-2-thienyl)-5-[3-[(1R,5S)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-1,3,4-thiadiazole CAS Name: 2-(5-chloro-2-thiophenyl)-5-[3-[(1R,5S)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylthio]-1,3,4-thiadiazole IUPAC Name: 2-(5-chlorothiophen-2-yl)-5-[3-[(1R,5S)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylsulfanyl]-1,3,4-thiadiazole Traditional Name: 2-(5-chloro-2-thienyl)-5-[3-[(1R,5S)-5-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propylthio]-1,3,4-thiadiazole Formula: C21H19ClF3N3S3 MolecularWeight: 502.03887

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Descriptors Computed from Structure

Canonical SMILES:

C1C2C1(CN(C2)CCCSC3=NN=C(S3)C4=CC=C(S4)Cl)C5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1[C@@H]2[C@]1(CN(C2)CCCSC3=NN=C(S3)C4=CC=C(S4)Cl)C5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C21H19ClF3N3S3/c22-17-7-6-16(30-17)18-26-27-19(31-18)29-9-1-8-28-11-15-10-20(15,12-28)13-2-4-14(5-3-13)21(23,24)25/h2-7,15H,1,8-12H2/t15-,20+/m0/s1