5-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[[1-(2-chlorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-ethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[[1-(2-chlorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C25H22ClN3O2S MolecularWeight: 463.97908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4Cl)C)C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC=C4Cl)C)C(=O)NC2=S

InChI

InChI=1S/C25H22ClN3O2S/c1-4-17-9-11-19(12-10-17)29-24(31)20(23(30)27-25(29)32)14-18-13-15(2)28(16(18)3)22-8-6-5-7-21(22)26/h5-14H,4H2,1-3H3,(H,27,30,32)