1-(3,4-dimethylphenyl)-5-[(3-iodanylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(3,4-dimethylphenyl)-5-[(3-iodanylphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3,4-dimethylphenyl)-5-[(3-iodophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3,4-dimethylphenyl)-5-[(3-iodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3,4-dimethylphenyl)-5-[(3-iodophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3,4-dimethylphenyl)-5-(3-iodobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C19H15IN2O2S MolecularWeight: 462.30407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)I)C(=O)NC2=S)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=O)C(=CC3=CC(=CC=C3)I)C(=O)NC2=S)C

InChI

InChI=1S/C19H15IN2O2S/c1-11-6-7-15(8-12(11)2)22-18(24)16(17(23)21-19(22)25)10-13-4-3-5-14(20)9-13/h3-10H,1-2H3,(H,21,23,25)