5-[(2-chlorophenyl)-(4-nitrophenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-[(2-chlorophenyl)-(4-nitrophenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(2-chlorophenyl)-(4-nitrophenyl)methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(2-chlorophenyl)-(4-nitrophenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(2-chlorophenyl)-(4-nitrophenyl)methylidene]-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-[(2-chlorophenyl)-(4-nitrophenyl)methylene]-1,3-diethyl-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C21H18ClN3O4S MolecularWeight: 443.90332

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl)C(=O)N(C1=S)CC

Isomeric SMILES

CCN1C(=O)C(=C(C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3Cl)C(=O)N(C1=S)CC

InChI

InChI=1S/C21H18ClN3O4S/c1-3-23-19(26)18(20(27)24(4-2)21(23)30)17(15-7-5-6-8-16(15)22)13-9-11-14(12-10-13)25(28)29/h5-12H,3-4H2,1-2H3