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

Systemtic Name: 5-[[1-(4-methoxy-2-nitro-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-(4-methoxy-2-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(4-methoxy-2-nitrophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(4-methoxy-2-nitrophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(4-methoxy-2-nitro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)OC)[N+](=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)CC=C

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)OC)[N+](=O)[O-])C)C=C3C(=O)NC(=S)N(C3=O)CC=C

InChI

InChI=1S/C21H20N4O5S/c1-5-8-23-20(27)16(19(26)22-21(23)31)10-14-9-12(2)24(13(14)3)17-7-6-15(30-4)11-18(17)25(28)29/h5-7,9-11H,1,8H2,2-4H3,(H,22,26,31)