(2S)-6-azaniumyl-3,5-dicyano-4-(2-iodanylphenyl)-1,2-dihydropyridine-2-thiolate

Systemtic Name: (2S)-6-azaniumyl-3,5-dicyano-4-(2-iodanylphenyl)-1,2-dihydropyridine-2-thiolate Openeye Name: (2S)-6-azaniumyl-3,5-dicyano-4-(2-iodophenyl)-1,2-dihydropyridine-2-thiolate CAS Name: (2S)-6-ammonio-3,5-dicyano-4-(2-iodophenyl)-1,2-dihydropyridine-2-thiolate IUPAC Name: (2S)-6-azaniumyl-3,5-dicyano-4-(2-iodophenyl)-1,2-dihydropyridine-2-thiolate Traditional Name: (2S)-6-ammonio-3,5-dicyano-4-(2-iodophenyl)-1,2-dihydropyridine-2-thiolate Formula: C13H9IN4S MolecularWeight: 380.20683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(NC(=C2C#N)[NH3+])[S-])C#N)I

Isomeric SMILES

C1=CC=C(C(=C1)C2=C([C@@H](NC(=C2C#N)[NH3+])[S-])C#N)I

InChI

InChI=1S/C13H9IN4S/c14-10-4-2-1-3-7(10)11-8(5-15)12(17)18-13(19)9(11)6-16/h1-4,13,18-19H,17H2/t13-/m0/s1