dilithium (1Z)-N-(methoxymethyl)-2-phenyl-but-3-ynimidothioate

Systemtic Name: dilithium (1Z)-N-(methoxymethyl)-2-phenyl-but-3-ynimidothioate Openeye Name: dilithium (1Z)-N-(methoxymethyl)-2-phenyl-but-3-ynimidothioate CAS Name: dilithium (1Z)-N-(methoxymethyl)-2-phenyl-3-butynimidothioate IUPAC Name: dilithium (1Z)-N-(methoxymethyl)-2-phenylbut-3-ynimidothioate Traditional Name: dilithium (1Z)-N-(methoxymethyl)-2-phenyl-but-3-ynimidothioate Formula: C12H11Li2NOS MolecularWeight: 231.16884

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].COCN=C(C(C#[C-])C1=CC=CC=C1)[S-]

Isomeric SMILES

[Li+].[Li+].COC/N=C(/C(C#[C-])C1=CC=CC=C1)\[S-]

InChI

InChI=1S/C12H12NOS.2Li/c1-3-11(12(15)13-9-14-2)10-7-5-4-6-8-10;;/h4-8,11H,9H2,2H3,(H,13,15);;/q-1;2*+1/p-1