3-[6-(5-chloranyl-2-oxidanyl-phenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]-N-oxidanyl-benzeneamine oxide

Systemtic Name: 3-[6-(5-chloranyl-2-oxidanyl-phenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]-N-oxidanyl-benzeneamine oxide Openeye Name: 3-[6-(5-chloro-2-hydroxy-phenyl)-2-thioxo-5,6-dihydro-1H-pyrimidin-4-yl]-N-hydroxy-benzeneamine oxide CAS Name: 3-[6-(5-chloro-2-hydroxyphenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]-N-hydroxybenzeneamine oxide IUPAC Name: 3-[6-(5-chloro-2-hydroxyphenyl)-2-sulfanylidene-5,6-dihydro-1H-pyrimidin-4-yl]-N-hydroxybenzeneamine oxide Traditional Name: 3-[6-(5-chloro-2-hydroxy-phenyl)-2-thioxo-5,6-dihydro-1H-pyrimidin-4-yl]-N-hydroxy-benzeneamine oxide Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(=S)N=C1C2=CC(=CC=C2)[NH+](O)[O-])C3=C(C=CC(=C3)Cl)O

Isomeric SMILES

C1C(NC(=S)N=C1C2=CC(=CC=C2)[NH+](O)[O-])C3=C(C=CC(=C3)Cl)O

InChI

InChI=1S/C16H14ClN3O3S/c17-10-4-5-15(21)12(7-10)14-8-13(18-16(24)19-14)9-2-1-3-11(6-9)20(22)23/h1-7,14,20-22H,8H2,(H,19,24)