methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate hydroiodide

Systemtic Name: methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate hydroiodide Openeye Name: methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate hydroiodide CAS Name: (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioic acid methyl ester hydroiodide IUPAC Name: methyl (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carboximidothioate hydroiodide Traditional Name: (3R,3aR)-3-phenyl-3,3a,4,5-tetrahydrobenz[g]indazole-2-carboximidothioic acid methyl ester hydroiodide Formula: C19H20IN3S MolecularWeight: 449.35167

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=N)N1C(C2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4.I

Isomeric SMILES

CSC(=N)N1[C@H]([C@H]2CCC3=CC=CC=C3C2=N1)C4=CC=CC=C4.I

InChI

InChI=1S/C19H19N3S.HI/c1-23-19(20)22-18(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)17(16)21-22;/h2-10,16,18,20H,11-12H2,1H3;1H/t16-,18-;/m0./s1