sodium 4-methyl-1,4-diazepane-1-carbodithioate hydrate

Systemtic Name: sodium 4-methyl-1,4-diazepane-1-carbodithioate hydrate Openeye Name: sodium 4-methyl-1,4-diazepane-1-carbodithioate hydrate CAS Name: sodium 4-methyl-1,4-diazepane-1-carbodithioate hydrate IUPAC Name: sodium 4-methyl-1,4-diazepane-1-carbodithioate hydrate Traditional Name: sodium 4-methyl-1,4-diazepane-1-carbodithioate hydrate Formula: C7H15N2NaOS2 MolecularWeight: 230.32657

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)[S-].O.[Na+]

Isomeric SMILES

CN1CCCN(CC1)C(=S)[S-].O.[Na+]

InChI

InChI=1S/C7H14N2S2.Na.H2O/c1-8-3-2-4-9(6-5-8)7(10)11;;/h2-6H2,1H3,(H,10,11);;1H2/q;+1;/p-1