1-(4-ethylphenyl)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 1-(4-ethylphenyl)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 1-(4-ethylphenyl)-5-[(4-methoxy-3-nitro-phenyl)methylene]-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 1-(4-ethylphenyl)-5-(4-methoxy-3-nitro-benzylidene)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OC)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C20H17N3O5S/c1-3-12-4-7-14(8-5-12)22-19(25)15(18(24)21-20(22)29)10-13-6-9-17(28-2)16(11-13)23(26)27/h4-11H,3H2,1-2H3,(H,21,24,29)