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

Systemtic Name: 1-(2-azanyl-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one Openeye Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one CAS Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylthio)-2-propanone IUPAC Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylsulfanyl)propan-2-one Traditional Name: 1-(2-amino-5-methyl-1,3,4-thiadiazol-3-ium-3-yl)-3-(1,3-benzothiazol-2-ylthio)acetone Formula: C13H13N4OS3+ MolecularWeight: 337.46352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS3/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/p+1