[(1S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]azanium

Systemtic Name: [(1S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]azanium Openeye Name: [(1S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]ammonium CAS Name: [(1S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]ammonium IUPAC Name: [(1S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]azanium Traditional Name: [(1S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]ammonium Formula: C20H18ClN6S+ MolecularWeight: 409.91512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C3=NN=C4N3NC(=CS4)C5=CC=C(C=C5)Cl)[NH3+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C3=NN=C4N3NC(=CS4)C5=CC=C(C=C5)Cl)[NH3+]

InChI

InChI=1S/C20H17ClN6S/c21-14-7-5-12(6-8-14)18-11-28-20-25-24-19(27(20)26-18)16(22)9-13-10-23-17-4-2-1-3-15(13)17/h1-8,10-11,16,23,26H,9,22H2/p+1/t16-/m0/s1