1,3-bis(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-one dihydrochloride

Systemtic Name: 1,3-bis(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-one dihydrochloride Openeye Name: 1,3-bis(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-one dihydrochloride CAS Name: 1,3-bis(1H-1,2,4-triazol-5-ylthio)-2-propanone dihydrochloride IUPAC Name: 1,3-bis(1H-1,2,4-triazol-5-ylsulfanyl)propan-2-one dihydrochloride Traditional Name: 1,3-bis(1H-1,2,4-triazol-5-ylthio)acetone dihydrochloride Formula: C7H10Cl2N6OS2 MolecularWeight: 329.2299

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Descriptors Computed from Structure

Canonical SMILES:

C1=NNC(=N1)SCC(=O)CSC2=NC=NN2.Cl.Cl

Isomeric SMILES

C1=NNC(=N1)SCC(=O)CSC2=NC=NN2.Cl.Cl

InChI

InChI=1S/C7H8N6OS2.2ClH/c14-5(1-15-6-8-3-10-12-6)2-16-7-9-4-11-13-7;;/h3-4H,1-2H2,(H,8,10,12)(H,9,11,13);2*1H