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

Systemtic Name: 5-[[1-(5-chloranyl-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-allyl-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]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(5-chloro-2-methylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(5-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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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)N(C3=O)CC=C)C

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C

InChI

InChI=1S/C21H20ClN3O2S/c1-5-8-24-20(27)17(19(26)23-21(24)28)10-15-9-13(3)25(14(15)4)18-11-16(22)7-6-12(18)2/h5-7,9-11H,1,8H2,2-4H3,(H,23,26,28)