[(1S)-3-methyl-1-[6-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]azanium

Systemtic Name: [(1S)-3-methyl-1-[6-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]azanium Openeye Name: [(1S)-1-[6-[(E)-cinnamyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]ammonium CAS Name: [(1S)-3-methyl-1-[6-[[(E)-3-phenylprop-2-enyl]thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]ammonium IUPAC Name: [(1S)-3-methyl-1-[6-[(E)-3-phenylprop-2-enyl]sulfanyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]butyl]azanium Traditional Name: [(1S)-1-[6-[[(E)-cinnamyl]thio]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-3-methyl-butyl]ammonium Formula: C17H22N5S2+ MolecularWeight: 360.52008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NN=C2N1N=C(S2)SCC=CC3=CC=CC=C3)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C1=NN=C2N1N=C(S2)SC/C=C/C3=CC=CC=C3)[NH3+]

InChI

InChI=1S/C17H21N5S2/c1-12(2)11-14(18)15-19-20-16-22(15)21-17(24-16)23-10-6-9-13-7-4-3-5-8-13/h3-9,12,14H,10-11,18H2,1-2H3/p+1/b9-6+/t14-/m0/s1