[[(4-chloranyl-1H-indazol-5-yl)amino]-methylsulfanyl-methylidene]-(2-hydroxyethyl)azanium iodide

Systemtic Name: [[(4-chloranyl-1H-indazol-5-yl)amino]-methylsulfanyl-methylidene]-(2-hydroxyethyl)azanium iodide Openeye Name: [[(4-chloro-1H-indazol-5-yl)amino]-methylsulfanyl-methylene]-(2-hydroxyethyl)ammonium iodide CAS Name: [[(4-chloro-1H-indazol-5-yl)amino]-(methylthio)methylidene]-(2-hydroxyethyl)ammonium iodide IUPAC Name: [[(4-chloro-1H-indazol-5-yl)amino]-methylsulfanylmethylidene]-(2-hydroxyethyl)azanium iodide Traditional Name: [[(4-chloro-1H-indazol-5-yl)amino]-(methylthio)methylene]-(2-hydroxyethyl)ammonium iodide Formula: C11H14ClIN4OS MolecularWeight: 412.67753

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=[NH+]CCO)NC1=C(C2=C(C=C1)NN=C2)Cl.[I-]

Isomeric SMILES

CSC(=[NH+]CCO)NC1=C(C2=C(C=C1)NN=C2)Cl.[I-]

InChI

InChI=1S/C11H13ClN4OS.HI/c1-18-11(13-4-5-17)15-9-3-2-8-7(10(9)12)6-14-16-8;/h2-3,6,17H,4-5H2,1H3,(H,13,15)(H,14,16);1H