[1-[(4,6-dimethylpyridin-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylboron

Systemtic Name: [1-[(4,6-dimethylpyridin-2-yl)amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoylboron Openeye Name: [1-[(4,6-dimethyl-2-pyridyl)carbamoyl]-3-methylsulfanyl-propyl]carbamoylboron CAS Name: [[[1-[(4,6-dimethyl-2-pyridinyl)amino]-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]boron IUPAC Name: [1-[(4,6-dimethylpyridin-2-yl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylboron Traditional Name: [1-[(4,6-dimethyl-2-pyridyl)carbamoyl]-3-(methylthio)propyl]carbamoylboron Formula: C13H18BN3O2S MolecularWeight: 291.17692

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Descriptors Computed from Structure

Canonical SMILES:

[B]C(=O)NC(CCSC)C(=O)NC1=CC(=CC(=N1)C)C

Isomeric SMILES

[B]C(=O)NC(CCSC)C(=O)NC1=CC(=CC(=N1)C)C

InChI

InChI=1S/C13H18BN3O2S/c1-8-6-9(2)15-11(7-8)17-12(18)10(4-5-20-3)16-13(14)19/h6-7,10H,4-5H2,1-3H3,(H,16,19)(H,15,17,18)