[(1S)-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]azanium

Systemtic Name: [(1S)-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]azanium Openeye Name: [(1S)-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]ammonium CAS Name: [(1S)-1-[6-[(2,4-dichlorophenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methylbutyl]ammonium IUPAC Name: [(1S)-1-[6-[(2,4-dichlorophenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methylbutyl]azanium Traditional Name: [(1S)-1-[6-[(2,4-dichlorobenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]ammonium Formula: C15H18Cl2N5S2+ MolecularWeight: 403.37292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C2N1N=C(S2)SCC3=C(C=C(C=C3)Cl)Cl)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C2N1N=C(S2)SCC3=C(C=C(C=C3)Cl)Cl)[NH3+]

InChI

InChI=1S/C15H17Cl2N5S2/c1-8(2)5-12(18)13-19-20-14-22(13)21-15(24-14)23-7-9-3-4-10(16)6-11(9)17/h3-4,6,8,12H,5,7,18H2,1-2H3/p+1/t12-/m0/s1