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

Systemtic Name: 5-[[1-(3-iodanylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-5-[[1-(3-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(3-iodophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(3-iodophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(3-iodophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18IN3O2S MolecularWeight: 491.34529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)I)C)C=C3C(=O)NC(=S)N(C3=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)I)C)C=C3C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C20H18IN3O2S/c1-4-8-23-19(26)17(18(25)22-20(23)27)10-14-9-12(2)24(13(14)3)16-7-5-6-15(21)11-16/h4-7,9-11H,1,8H2,2-3H3,(H,22,25,27)