1,3-dimethyl-1-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea hydrochloride

Systemtic Name: 1,3-dimethyl-1-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea hydrochloride Openeye Name: 1,3-dimethyl-1-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea hydrochloride CAS Name: 1,3-dimethyl-1-[5-(3-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]urea hydrochloride IUPAC Name: 1,3-dimethyl-1-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea hydrochloride Traditional Name: 1,3-dimethyl-1-[5-(3-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]urea hydrochloride Formula: C11H14ClN5OS2 MolecularWeight: 331.84476

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)N(C)C1=NN=C(S1)SCC2=CN=CC=C2.Cl

Isomeric SMILES

CNC(=O)N(C)C1=NN=C(S1)SCC2=CN=CC=C2.Cl

InChI

InChI=1S/C11H13N5OS2.ClH/c1-12-9(17)16(2)10-14-15-11(19-10)18-7-8-4-3-5-13-6-8;/h3-6H,7H2,1-2H3,(H,12,17);1H