methyl N'-[[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]carbamimidothioate iodide

Systemtic Name: methyl N'-[[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]amino]carbamimidothioate iodide Openeye Name: 2-methyl-3-[[(Z)-(2-oxo-1-naphthylidene)methyl]amino]isothiourea iodide CAS Name: N'-[[(Z)-(2-oxo-1-naphthalenylidene)methyl]amino]carbamimidothioic acid methyl ester iodide IUPAC Name: methyl N'-[[(Z)-(2-oxonaphthalen-1-ylidene)methyl]amino]carbamimidothioate iodide Traditional Name: 3-[[(Z)-(2-keto-1-naphthylidene)methyl]amino]-2-methyl-isothiourea iodide Formula: C13H13IN3OS- MolecularWeight: 386.23129

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NNC=C1C(=O)C=CC2=CC=CC=C21)N.[I-]

Isomeric SMILES

CS/C(=N/N/C=C/1\C(=O)C=CC2=CC=CC=C21)/N.[I-]

InChI

InChI=1S/C13H13N3OS.HI/c1-18-13(14)16-15-8-11-10-5-3-2-4-9(10)6-7-12(11)17;/h2-8,15H,1H3,(H2,14,16);1H/p-1/b11-8-;