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

Systemtic Name: 1-(4-chlorophenyl)-3-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea CAS Name: 1-(4-chlorophenyl)-3-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-(4-chlorophenyl)urea Formula: C12H11ClN4O2S2 MolecularWeight: 342.82434

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)CSC1=NN=C(S1)NC(=O)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H11ClN4O2S2/c1-7(18)6-20-12-17-16-11(21-12)15-10(19)14-9-4-2-8(13)3-5-9/h2-5H,6H2,1H3,(H2,14,15,16,19)