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

Systemtic Name: 5-[(3-iodanylphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(3-iodophenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-iodophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-iodophenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(3-iodobenzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C14H11IN2O2S MolecularWeight: 398.21881

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C(=CC2=CC(=CC=C2)I)C(=O)NC1=S

Isomeric SMILES

C=CCN1C(=O)C(=CC2=CC(=CC=C2)I)C(=O)NC1=S

InChI

InChI=1S/C14H11IN2O2S/c1-2-6-17-13(19)11(12(18)16-14(17)20)8-9-4-3-5-10(15)7-9/h2-5,7-8H,1,6H2,(H,16,18,20)