N-(4-methylphenyl)sulfonyl-2-(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanyl-ethanimidate

Systemtic Name: N-(4-methylphenyl)sulfonyl-2-(4-oxidanidyl-6-propyl-pyrimidin-2-yl)sulfanyl-ethanimidate Openeye Name: 2-(4-oxido-6-propyl-pyrimidin-2-yl)sulfanyl-N-(p-tolylsulfonyl)ethanimidate CAS Name: N-(4-methylphenyl)sulfonyl-2-[(4-oxido-6-propyl-2-pyrimidinyl)thio]ethanimidate IUPAC Name: N-(4-methylphenyl)sulfonyl-2-(4-oxido-6-propylpyrimidin-2-yl)sulfanylethanimidate Traditional Name: 2-[(4-oxido-6-propyl-pyrimidin-2-yl)thio]-N-tosyl-acetimidate Formula: C16H17N3O4S2-2 MolecularWeight: 379.45388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-])[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-])[O-]

InChI

InChI=1S/C16H19N3O4S2/c1-3-4-12-9-14(20)18-16(17-12)24-10-15(21)19-25(22,23)13-7-5-11(2)6-8-13/h5-9H,3-4,10H2,1-2H3,(H,19,21)(H,17,18,20)/p-2