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

Systemtic Name: 5-[[1-(2,6-dimethylphenyl)-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-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-allyl-5-[[1-(2,6-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C22H23N3O2S MolecularWeight: 393.50192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O2S/c1-6-10-24-21(27)18(20(26)23-22(24)28)12-17-11-15(4)25(16(17)5)19-13(2)8-7-9-14(19)3/h6-9,11-12H,1,10H2,2-5H3,(H,23,26,28)