(E)-[5-cyano-4-(2-iodanylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-[(2-methylphenyl)amino]methanolate

Systemtic Name: (E)-[5-cyano-4-(2-iodanylphenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-[(2-methylphenyl)amino]methanolate Openeye Name: (E)-[5-cyano-4-(2-iodophenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-(2-methylanilino)methanolate CAS Name: (E)-[5-cyano-4-(2-iodophenyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-(2-methylanilino)methanolate IUPAC Name: (E)-[5-cyano-4-(2-iodophenyl)-2-methyl-6-sulfanyl-4H-pyridin-3-ylidene]-(2-methylanilino)methanolate Traditional Name: (E)-[5-cyano-4-(2-iodophenyl)-6-mercapto-2-methyl-4H-pyridin-3-ylidene]-(o-toluidino)methanolate Formula: C21H17IN3OS- MolecularWeight: 486.34865

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=C2C(C(=C(N=C2C)S)C#N)C3=CC=CC=C3I)[O-]

Isomeric SMILES

CC1=CC=CC=C1N/C(=C\2/C(C(=C(N=C2C)S)C#N)C3=CC=CC=C3I)/[O-]

InChI

InChI=1S/C21H18IN3OS/c1-12-7-3-6-10-17(12)25-20(26)18-13(2)24-21(27)15(11-23)19(18)14-8-4-5-9-16(14)22/h3-10,19,25-27H,1-2H3/p-1/b20-18-