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

Systemtic Name: 6-[3-[(1S)-1-azanyl-2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[3-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-4H-1,4-benzoxazin-3-one Formula: C22H19N7O2S MolecularWeight: 445.49696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC4=NN=C(N4N3)C(CC5=CNC6=CC=CC=C65)N

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C3=CSC4=NN=C(N4N3)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C22H19N7O2S/c23-15(7-13-9-24-16-4-2-1-3-14(13)16)21-26-27-22-29(21)28-18(11-32-22)12-5-6-19-17(8-12)25-20(30)10-31-19/h1-6,8-9,11,15,24,28H,7,10,23H2,(H,25,30)/t15-/m0/s1