5-butyl-1-phenyl-2-sulfanylidene-pyrimidine-4,6-diolate

Systemtic Name: 5-butyl-1-phenyl-2-sulfanylidene-pyrimidine-4,6-diolate Openeye Name: 5-butyl-1-phenyl-2-thioxo-pyrimidine-4,6-diolate CAS Name: 5-butyl-1-phenyl-2-sulfanylidenepyrimidine-4,6-diolate IUPAC Name: 5-butyl-1-phenyl-2-sulfanylidenepyrimidine-4,6-diolate Traditional Name: 5-butyl-1-phenyl-2-thioxo-pyrimidine-4,6-diolate Formula: C14H14N2O2S-2 MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=S)N=C1[O-])C2=CC=CC=C2)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=S)N=C1[O-])C2=CC=CC=C2)[O-]

InChI

InChI=1S/C14H16N2O2S/c1-2-3-9-11-12(17)15-14(19)16(13(11)18)10-7-5-4-6-8-10/h4-8,18H,2-3,9H2,1H3,(H,15,17,19)/p-2