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

Systemtic Name: 1-(4-methylphenyl)-3-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC(=O)C

InChI

InChI=1S/C13H14N4O2S2/c1-8-3-5-10(6-4-8)14-11(19)15-12-16-17-13(21-12)20-7-9(2)18/h3-6H,7H2,1-2H3,(H2,14,15,16,19)