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

Systemtic Name: 1-(4-methoxyphenyl)-3-[5-(2-oxidanylidenepropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-acetonylsulfanyl-1,3,4-thiadiazol-2-yl)-3-(4-methoxyphenyl)urea CAS Name: 1-(4-methoxyphenyl)-3-[5-(2-oxopropylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[5-(2-oxopropylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(acetonylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea Formula: C13H14N4O3S2 MolecularWeight: 338.40526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S2/c1-8(18)7-21-13-17-16-12(22-13)15-11(19)14-9-3-5-10(20-2)6-4-9/h3-6H,7H2,1-2H3,(H2,14,15,16,19)