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

Systemtic Name: 5-[[1-(4-bromanylnaphthalen-1-yl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(4-bromo-1-naphthyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-bromo-1-naphthalenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-bromonaphthalen-1-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(4-bromo-1-naphthyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-methyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C3=CC=CC=C32)Br)C)C=C4C(=O)NC(=S)N(C4=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C3=CC=CC=C32)Br)C)C=C4C(=O)NC(=S)N(C4=O)C

InChI

InChI=1S/C22H18BrN3O2S/c1-12-10-14(11-17-20(27)24-22(29)25(3)21(17)28)13(2)26(12)19-9-8-18(23)15-6-4-5-7-16(15)19/h4-11H,1-3H3,(H,24,27,29)