1-tert-butyl-3-[2-(2-cyanoethylsulfanyl)phenyl]urea

Systemtic Name: 1-tert-butyl-3-[2-(2-cyanoethylsulfanyl)phenyl]urea Openeye Name: 1-tert-butyl-3-[2-(2-cyanoethylsulfanyl)phenyl]urea CAS Name: 1-tert-butyl-3-[2-(2-cyanoethylthio)phenyl]urea IUPAC Name: 1-tert-butyl-3-[2-(2-cyanoethylsulfanyl)phenyl]urea Traditional Name: 1-tert-butyl-3-[2-(2-cyanoethylthio)phenyl]urea Formula: C14H19N3OS MolecularWeight: 277.38516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CC=CC=C1SCCC#N

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CC=CC=C1SCCC#N

InChI

InChI=1S/C14H19N3OS/c1-14(2,3)17-13(18)16-11-7-4-5-8-12(11)19-10-6-9-15/h4-5,7-8H,6,10H2,1-3H3,(H2,16,17,18)