[(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]azanium chloride

Systemtic Name: [(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]azanium chloride Openeye Name: [(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]ammonium chloride CAS Name: [(1S)-1-[5-[(2,5-dimethylphenyl)methylthio]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]ammonium chloride IUPAC Name: [(1S)-1-[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]azanium chloride Traditional Name: [(1S)-1-[5-[(2,5-dimethylbenzyl)thio]-1,3,4-oxadiazol-2-yl]-2-(1H-indol-3-yl)ethyl]ammonium chloride Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)C(CC3=CNC4=CC=CC=C43)[NH3+].[Cl-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(O2)[C@H](CC3=CNC4=CC=CC=C43)[NH3+].[Cl-]

InChI

InChI=1S/C21H22N4OS.ClH/c1-13-7-8-14(2)16(9-13)12-27-21-25-24-20(26-21)18(22)10-15-11-23-19-6-4-3-5-17(15)19;/h3-9,11,18,23H,10,12,22H2,1-2H3;1H/t18-;/m0./s1