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

Systemtic Name: (5E)-1-(3-chloranyl-2-methyl-phenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: (5E)-1-(3-chloro-2-methyl-phenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: (5E)-1-(3-chloro-2-methylphenyl)-5-[[1-(4-hydroxyphenyl)-2-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: (5E)-1-(3-chloro-2-methylphenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: (5E)-1-(3-chloro-2-methyl-phenyl)-5-[[1-(4-hydroxyphenyl)pyrrol-2-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)O)C(=O)NC2=S

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)/C(=C/C3=CC=CN3C4=CC=C(C=C4)O)/C(=O)NC2=S

InChI

InChI=1S/C22H16ClN3O3S/c1-13-18(23)5-2-6-19(13)26-21(29)17(20(28)24-22(26)30)12-15-4-3-11-25(15)14-7-9-16(27)10-8-14/h2-12,27H,1H3,(H,24,28,30)/b17-12+