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

Systemtic Name: 2-(4-ethyl-6-oxidanidyl-pyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)sulfonyl-ethanimidate Openeye Name: 2-(4-ethyl-6-oxido-pyrimidin-2-yl)sulfanyl-N-(p-tolylsulfonyl)ethanimidate CAS Name: 2-[(4-ethyl-6-oxido-2-pyrimidinyl)thio]-N-(4-methylphenyl)sulfonylethanimidate IUPAC Name: 2-(4-ethyl-6-oxidopyrimidin-2-yl)sulfanyl-N-(4-methylphenyl)sulfonylethanimidate Traditional Name: 2-[(4-ethyl-6-oxido-pyrimidin-2-yl)thio]-N-tosyl-acetimidate Formula: C15H15N3O4S2-2 MolecularWeight: 365.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-])[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=NS(=O)(=O)C2=CC=C(C=C2)C)[O-])[O-]

InChI

InChI=1S/C15H17N3O4S2/c1-3-11-8-13(19)17-15(16-11)23-9-14(20)18-24(21,22)12-6-4-10(2)5-7-12/h4-8H,3,9H2,1-2H3,(H,18,20)(H,16,17,19)/p-2