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

Systemtic Name: 5-[[1-(5-chloranyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(5-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(5-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C18H16ClN3O2S MolecularWeight: 373.85654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2C(=CC(=C2C)C=C3C(=O)NC(=S)NC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=CC(=C2C)C=C3C(=O)NC(=S)NC3=O)C

InChI

InChI=1S/C18H16ClN3O2S/c1-9-4-5-13(19)8-15(9)22-10(2)6-12(11(22)3)7-14-16(23)20-18(25)21-17(14)24/h4-8H,1-3H3,(H2,20,21,23,24,25)