3-(2,6-dimethylphenyl)-1-ethyl-1-(pyridin-4-ylmethylsulfanyl)urea

Systemtic Name: 3-(2,6-dimethylphenyl)-1-ethyl-1-(pyridin-4-ylmethylsulfanyl)urea Openeye Name: 3-(2,6-dimethylphenyl)-1-ethyl-1-(4-pyridylmethylsulfanyl)urea CAS Name: 3-(2,6-dimethylphenyl)-1-ethyl-1-(pyridin-4-ylmethylthio)urea IUPAC Name: 3-(2,6-dimethylphenyl)-1-ethyl-1-(pyridin-4-ylmethylsulfanyl)urea Traditional Name: 3-(2,6-dimethylphenyl)-1-ethyl-1-(4-pyridylmethylthio)urea Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NC1=C(C=CC=C1C)C)SCC2=CC=NC=C2

Isomeric SMILES

CCN(C(=O)NC1=C(C=CC=C1C)C)SCC2=CC=NC=C2

InChI

InChI=1S/C17H21N3OS/c1-4-20(22-12-15-8-10-18-11-9-15)17(21)19-16-13(2)6-5-7-14(16)3/h5-11H,4,12H2,1-3H3,(H,19,21)