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

Systemtic Name: [(1S,2S)-1-[6-[(3-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]azanium Openeye Name: [(1S,2S)-1-[6-[(3-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]ammonium CAS Name: [(1S,2S)-1-[6-[(3-methoxyphenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl]ammonium IUPAC Name: [(1S,2S)-1-[6-[(3-methoxyphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methylbutyl]azanium Traditional Name: [(1S,2S)-1-[6-(m-anisylthio)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-methyl-butyl]ammonium Formula: C16H22N5OS2+ MolecularWeight: 364.50878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N5OS2/c1-4-10(2)13(17)14-18-19-15-21(14)20-16(24-15)23-9-11-6-5-7-12(8-11)22-3/h5-8,10,13H,4,9,17H2,1-3H3/p+1/t10-,13-/m0/s1