sodium (3Z)-3-[[2-(cyclohexylcarbamothioyl)hydrazinyl]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: sodium (3Z)-3-[[2-(cyclohexylcarbamothioyl)hydrazinyl]methylidene]-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3Z)-3-[[2-(cyclohexylcarbamothioyl)hydrazino]methylene]-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3Z)-3-[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]methylidene]-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3Z)-3-[[2-(cyclohexylcarbamothioyl)hydrazinyl]methylidene]-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3Z)-3-[[N'-(cyclohexylthiocarbamoyl)hydrazino]methylene]-4-keto-cyclohexa-1,5-diene-1-sulfonate Formula: C14H18N3NaO4S2 MolecularWeight: 379.43019

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)NNC=C2C=C(C=CC2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1CCC(CC1)NC(=S)NN/C=C\2/C=C(C=CC2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C14H19N3O4S2.Na/c18-13-7-6-12(23(19,20)21)8-10(13)9-15-17-14(22)16-11-4-2-1-3-5-11;/h6-9,11,15H,1-5H2,(H2,16,17,22)(H,19,20,21);/q;+1/p-1/b10-9-;