6-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Systemtic Name: 6-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Openeye Name: 6-[(2,6-dichlorophenyl)methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole CAS Name: 6-[(2,6-dichlorophenyl)methylthio]-3-[(2R)-2-pyrrolidin-1-iumyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole IUPAC Name: 6-[(2,6-dichlorophenyl)methylsulfanyl]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Traditional Name: 6-[(2,6-dichlorobenzyl)thio]-3-[(2R)-pyrrolidin-1-ium-2-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole Formula: C14H14Cl2N5S2+ MolecularWeight: 387.33046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH2+]C1)C2=NN=C3N2N=C(S3)SCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1C[C@@H]([NH2+]C1)C2=NN=C3N2N=C(S3)SCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C14H13Cl2N5S2/c15-9-3-1-4-10(16)8(9)7-22-14-20-21-12(11-5-2-6-17-11)18-19-13(21)23-14/h1,3-4,11,17H,2,5-7H2/p+1/t11-/m1/s1