[(1S)-1-[6-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]azanium

Systemtic Name: [(1S)-1-[6-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]azanium Openeye Name: [(1S)-1-[6-(o-tolylmethylsulfanyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]ammonium CAS Name: [(1S)-1-[6-[(2-methylphenyl)methylthio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]ammonium IUPAC Name: [(1S)-1-[6-[(2-methylphenyl)methylsulfanyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenylethyl]azanium Traditional Name: [(1S)-1-[6-[(2-methylbenzyl)thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-2-phenyl-ethyl]ammonium Formula: C19H20N5S2+ MolecularWeight: 382.5256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NN3C(=NN=C3S2)C(CC4=CC=CC=C4)[NH3+]

Isomeric SMILES

CC1=CC=CC=C1CSC2=NN3C(=NN=C3S2)[C@H](CC4=CC=CC=C4)[NH3+]

InChI

InChI=1S/C19H19N5S2/c1-13-7-5-6-10-15(13)12-25-19-23-24-17(21-22-18(24)26-19)16(20)11-14-8-3-2-4-9-14/h2-10,16H,11-12,20H2,1H3/p+1/t16-/m0/s1