2-[[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 2-[[4-[(E)-N'-oxidanylcarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Openeye Name: 2-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate CAS Name: 2-[[4-[(E)-amino(hydroxyimino)methyl]phenyl]methylthio]-4-pyrimidinolate IUPAC Name: 2-[[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]methylsulfanyl]pyrimidin-4-olate Traditional Name: 2-[[4-[(E)-aminocarbohydroximoyl]benzyl]thio]pyrimidin-4-olate Formula: C12H11N4O2S- MolecularWeight: 275.30634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC=CC(=N2)[O-])C(=NO)N

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC=CC(=N2)[O-])/C(=N\O)/N

InChI

InChI=1S/C12H12N4O2S/c13-11(16-18)9-3-1-8(2-4-9)7-19-12-14-6-5-10(17)15-12/h1-6,18H,7H2,(H2,13,16)(H,14,15,17)/p-1