1-(4-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C11H8ClN5OS2 MolecularWeight: 325.79712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)SCC#N)Cl

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=NN=C(S2)SCC#N)Cl

InChI

InChI=1S/C11H8ClN5OS2/c12-7-1-3-8(4-2-7)14-9(18)15-10-16-17-11(20-10)19-6-5-13/h1-4H,6H2,(H2,14,15,16,18)