5-[[(2E)-2-[azanyl(pentylsulfanyl)methylidene]hydrazinyl]methylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate

Systemtic Name: 5-[[(2E)-2-[azanyl(pentylsulfanyl)methylidene]hydrazinyl]methylidene]-6-oxidanylidene-cyclohexa-1,3-diene-1-carboxylate Openeye Name: 5-[[(2E)-2-[amino(pentylsulfanyl)methylene]hydrazino]methylene]-6-oxo-cyclohexa-1,3-diene-1-carboxylate CAS Name: 5-[[(2E)-2-[amino-(pentylthio)methylidene]hydrazinyl]methylidene]-6-oxo-1-cyclohexa-1,3-dienecarboxylate IUPAC Name: 5-[[(2E)-2-[amino(pentylsulfanyl)methylidene]hydrazinyl]methylidene]-6-oxocyclohexa-1,3-diene-1-carboxylate Traditional Name: 5-[[(N'E)-N'-[amino-(amylthio)methylene]hydrazino]methylene]-6-keto-cyclohexa-1,3-diene-1-carboxylate Formula: C14H18N3O3S- MolecularWeight: 308.37602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC(=NNC=C1C=CC=C(C1=O)C(=O)[O-])N

Isomeric SMILES

CCCCCS/C(=N/NC=C1C=CC=C(C1=O)C(=O)[O-])/N

InChI

InChI=1S/C14H19N3O3S/c1-2-3-4-8-21-14(15)17-16-9-10-6-5-7-11(12(10)18)13(19)20/h5-7,9,16H,2-4,8H2,1H3,(H2,15,17)(H,19,20)/p-1