ethyl N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)amino]carbamimidothioate hydrobromide

Systemtic Name: ethyl N'-[(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)amino]carbamimidothioate hydrobromide Openeye Name: 2-ethyl-3-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]isothiourea hydrobromide CAS Name: N'-[(4-oxo-1-cyclohexa-2,5-dienylidene)amino]carbamimidothioic acid ethyl ester hydrobromide IUPAC Name: ethyl N'-[(4-oxocyclohexa-2,5-dien-1-ylidene)amino]carbamimidothioate hydrobromide Traditional Name: 2-ethyl-3-[(4-ketocyclohexa-2,5-dien-1-ylidene)amino]isothiourea hydrobromide Formula: C9H12BrN3OS MolecularWeight: 290.18008

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NN=C1C=CC(=O)C=C1)N.Br

Isomeric SMILES

CCSC(=NN=C1C=CC(=O)C=C1)N.Br

InChI

InChI=1S/C9H11N3OS.BrH/c1-2-14-9(10)12-11-7-3-5-8(13)6-4-7;/h3-6H,2H2,1H3,(H2,10,12);1H