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

Systemtic Name: (5E)-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-allyl-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-5-[(2,5-dimethyl-1-phenyl-3-pyrrolyl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-5-[(2,5-dimethyl-1-phenylpyrrol-3-yl)methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-allyl-5-[(2,5-dimethyl-1-phenyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H19N3O2S MolecularWeight: 365.44876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)/C=C/3\C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C20H19N3O2S/c1-4-10-22-19(25)17(18(24)21-20(22)26)12-15-11-13(2)23(14(15)3)16-8-6-5-7-9-16/h4-9,11-12H,1,10H2,2-3H3,(H,21,24,26)/b17-12+