(5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: (5Z)-1-(4-bromanyl-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(1-tert-butyl-2-pyrrolyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5Z)-1-(4-bromo-2-methylphenyl)-5-[(1-tert-butylpyrrol-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5Z)-1-(4-bromo-2-methyl-phenyl)-5-[(1-tert-butylpyrrol-2-yl)methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H20BrN3O2S MolecularWeight: 446.3607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)N2C(=O)C(=CC3=CC=CN3C(C)(C)C)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C\C3=CC=CN3C(C)(C)C)/C(=O)NC2=S

InChI

InChI=1S/C20H20BrN3O2S/c1-12-10-13(21)7-8-16(12)24-18(26)15(17(25)22-19(24)27)11-14-6-5-9-23(14)20(2,3)4/h5-11H,1-4H3,(H,22,25,27)/b15-11-