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

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-5-[(2,5-dimethyl-1-pyridin-3-yl-pyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(3-chloro-2-methyl-phenyl)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(3-chloro-2-methylphenyl)-5-[[2,5-dimethyl-1-(3-pyridinyl)-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(3-chloro-2-methylphenyl)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(3-chloro-2-methyl-phenyl)-5-[[2,5-dimethyl-1-(3-pyridyl)pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C23H19ClN4O2S MolecularWeight: 450.94056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C

Isomeric SMILES

CC1=CC(=C(N1C2=CN=CC=C2)C)C=C3C(=O)NC(=S)N(C3=O)C4=C(C(=CC=C4)Cl)C

InChI

InChI=1S/C23H19ClN4O2S/c1-13-10-16(15(3)27(13)17-6-5-9-25-12-17)11-18-21(29)26-23(31)28(22(18)30)20-8-4-7-19(24)14(20)2/h4-12H,1-3H3,(H,26,29,31)