(1S)-1-[6-(4-chloranyl-3-methyl-phenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethanamine

Systemtic Name: (1S)-1-[6-(4-chloranyl-3-methyl-phenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethanamine Openeye Name: (1S)-1-[6-(4-chloro-3-methyl-phenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethanamine CAS Name: (1S)-1-[6-(4-chloro-3-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethanamine IUPAC Name: (1S)-1-[6-(4-chloro-3-methylphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethanamine Traditional Name: [(1S)-1-[6-(4-chloro-3-methyl-phenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-(1H-indol-3-yl)ethyl]amine Formula: C21H19ClN6S MolecularWeight: 422.93376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CSC3=NN=C(N3N2)C(CC4=CNC5=CC=CC=C54)N)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CSC3=NN=C(N3N2)[C@H](CC4=CNC5=CC=CC=C54)N)Cl

InChI

InChI=1S/C21H19ClN6S/c1-12-8-13(6-7-16(12)22)19-11-29-21-26-25-20(28(21)27-19)17(23)9-14-10-24-18-5-3-2-4-15(14)18/h2-8,10-11,17,24,27H,9,23H2,1H3/t17-/m0/s1