1-(4-bromophenyl)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-bromophenyl)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-bromophenyl)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-bromophenyl)-5-[(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-bromophenyl)-5-[(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-bromophenyl)-5-[(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)C=C3C(=O)NC(=S)N(C3=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-11-9-13(12(2)23(11)15-7-8-15)10-17-18(25)22-20(27)24(19(17)26)16-5-3-14(21)4-6-16/h3-6,9-10,15H,7-8H2,1-2H3,(H,22,25,27)