1-tert-butyl-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-tert-butyl-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-tert-butyl-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-tert-butyl-3-[5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-tert-butyl-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-tert-butyl-3-[5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C13H24N5OS2+ MolecularWeight: 330.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC[NH+]2CCCC2

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC[NH+]2CCCC2

InChI

InChI=1S/C13H23N5OS2/c1-13(2,3)15-10(19)14-11-16-17-12(21-11)20-9-8-18-6-4-5-7-18/h4-9H2,1-3H3,(H2,14,15,16,19)/p+1