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

Systemtic Name: 1-tert-butyl-3-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-tert-butyl-urea CAS Name: 1-tert-butyl-3-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-tert-butylurea Traditional Name: 1-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-tert-butyl-urea Formula: C14H18N4OS2 MolecularWeight: 322.44892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4OS2/c1-14(2,3)16-11(19)15-12-17-18-13(21-12)20-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H2,15,16,17,19)