1-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one bromide

Systemtic Name: 1-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one bromide Openeye Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one bromide CAS Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylthio)-2-propanone bromide IUPAC Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one bromide Traditional Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylthio)acetone bromide Formula: C13H13BrN4OS3 MolecularWeight: 417.36752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=N[N+](=C(S1)N)CC(=O)CSC2=NC3=CC=CC=C3S2.[Br-]

Isomeric SMILES

CC1=N[N+](=C(S1)N)CC(=O)CSC2=NC3=CC=CC=C3S2.[Br-]

InChI

InChI=1S/C13H12N4OS3.BrH/c1-8-16-17(12(14)20-8)6-9(18)7-19-13-15-10-4-2-3-5-11(10)21-13;/h2-5,14H,6-7H2,1H3;1H