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

Systemtic Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea Openeye Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea CAS Name: 1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea IUPAC Name: 1-[5-(cyanomethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea Traditional Name: 1-[5-(cyanomethylthio)-1,3,4-thiadiazol-2-yl]-3-(3,4-dimethoxyphenyl)urea Formula: C13H13N5O3S2 MolecularWeight: 351.40402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N5O3S2/c1-20-9-4-3-8(7-10(9)21-2)15-11(19)16-12-17-18-13(23-12)22-6-5-14/h3-4,7H,6H2,1-2H3,(H2,15,16,17,19)