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

Systemtic Name: 5-[(3-iodanyl-4,5-dimethoxy-phenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[(3-iodo-4,5-dimethoxy-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-iodo-4,5-dimethoxyphenyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-(3-iodo-4,5-dimethoxy-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C16H15IN2O4S MolecularWeight: 458.27077

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)I)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)CC=C)I)OC

InChI

InChI=1S/C16H15IN2O4S/c1-4-5-19-15(21)10(14(20)18-16(19)24)6-9-7-11(17)13(23-3)12(8-9)22-2/h4,6-8H,1,5H2,2-3H3,(H,18,20,24)