1-tert-butyl-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-tert-butyl-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-tert-butyl-3-[5-(3-pyridylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-tert-butyl-3-[5-(3-pyridinylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-tert-butyl-3-[5-(pyridin-3-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-tert-butyl-3-[5-(3-pyridylmethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C13H17N5OS2 MolecularWeight: 323.43698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC2=CN=CC=C2

InChI

InChI=1S/C13H17N5OS2/c1-13(2,3)16-10(19)15-11-17-18-12(21-11)20-8-9-5-4-6-14-7-9/h4-7H,8H2,1-3H3,(H2,15,16,17,19)