1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone

Systemtic Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanyl-ethanone CAS Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-(2-pyrimidinylthio)ethanone IUPAC Name: 1-[4-[(4-methylsulfonylphenyl)methyl]-1,4-diazepan-1-yl]-2-pyrimidin-2-ylsulfanylethanone Traditional Name: 1-[4-(4-mesylbenzyl)-1,4-diazepan-1-yl]-2-(2-pyrimidylthio)ethanone Formula: C19H24N4O3S2 MolecularWeight: 420.54886

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CN2CCCN(CC2)C(=O)CSC3=NC=CC=N3

InChI

InChI=1S/C19H24N4O3S2/c1-28(25,26)17-6-4-16(5-7-17)14-22-10-3-11-23(13-12-22)18(24)15-27-19-20-8-2-9-21-19/h2,4-9H,3,10-15H2,1H3