sodium 6-oxidanylidene-5-(phenylmethyl)-5-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate

Systemtic Name: sodium 6-oxidanylidene-5-(phenylmethyl)-5-prop-2-enyl-2-sulfanylidene-pyrimidin-4-olate Openeye Name: sodium 5-allyl-5-benzyl-6-oxo-2-thioxo-pyrimidin-4-olate CAS Name: sodium 6-oxo-5-(phenylmethyl)-5-prop-2-enyl-2-sulfanylidene-4-pyrimidinolate IUPAC Name: sodium 5-benzyl-6-oxo-5-prop-2-enyl-2-sulfanylidenepyrimidin-4-olate Traditional Name: sodium 5-allyl-5-benzyl-6-keto-2-thioxo-pyrimidin-4-olate Formula: C14H13N2NaO2S MolecularWeight: 296.31999

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1(C(=O)NC(=S)N=C1[O-])CC2=CC=CC=C2.[Na+]

Isomeric SMILES

C=CCC1(C(=O)NC(=S)N=C1[O-])CC2=CC=CC=C2.[Na+]

InChI

InChI=1S/C14H14N2O2S.Na/c1-2-8-14(9-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18;/h2-7H,1,8-9H2,(H2,15,16,17,18,19);/q;+1/p-1