(1S,2S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methyl-butan-1-amine

Systemtic Name: (1S,2S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methyl-butan-1-amine Openeye Name: (1S,2S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methyl-butan-1-amine CAS Name: (1S,2S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methyl-1-butanamine IUPAC Name: (1S,2S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methylbutan-1-amine Traditional Name: [(1S,2S)-1-[6-(4-chlorophenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-methyl-butyl]amine Formula: C15H18ClN5S MolecularWeight: 335.85492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=NN=C2N1NC(=CS2)C3=CC=C(C=C3)Cl)N

Isomeric SMILES

CC[C@H](C)[C@@H](C1=NN=C2N1NC(=CS2)C3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C15H18ClN5S/c1-3-9(2)13(17)14-18-19-15-21(14)20-12(8-22-15)10-4-6-11(16)7-5-10/h4-9,13,20H,3,17H2,1-2H3/t9-,13-/m0/s1