5-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[[3-(4-chlorophenyl)isoxazol-5-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[[3-(4-chlorophenyl)-5-isoxazolyl]methylthio]-N-methyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-methyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[[3-(4-chlorophenyl)isoxazol-5-yl]methylthio]-1,3,4-thiadiazol-2-yl]-methyl-amine Formula: C13H11ClN4OS2 MolecularWeight: 338.83564

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NN=C(S1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CNC1=NN=C(S1)SCC2=CC(=NO2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C13H11ClN4OS2/c1-15-12-16-17-13(21-12)20-7-10-6-11(18-19-10)8-2-4-9(14)5-3-8/h2-6H,7H2,1H3,(H,15,16)