5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(3-iodanyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxy-phenyl)methylene]-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(3-iodo-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-diphenyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(3-iodo-5-methoxy-4-propargyloxy-benzylidene)-1,3-diphenyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C27H19IN2O4S MolecularWeight: 594.42023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)I)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)I)OCC#C

InChI

InChI=1S/C27H19IN2O4S/c1-3-14-34-24-22(28)16-18(17-23(24)33-2)15-21-25(31)29(19-10-6-4-7-11-19)27(35)30(26(21)32)20-12-8-5-9-13-20/h1,4-13,15-17H,14H2,2H3