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

Systemtic Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea Openeye Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea CAS Name: 1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea IUPAC Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea Traditional Name: 1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-3-(4-methoxyphenyl)urea Formula: C12H11N5O2S2 MolecularWeight: 321.37804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC#N

InChI

InChI=1S/C12H11N5O2S2/c1-19-9-4-2-8(3-5-9)14-10(18)15-11-16-17-12(21-11)20-7-6-13/h2-5H,7H2,1H3,(H2,14,15,16,18)