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

Systemtic Name: 1-(4-ethylphenyl)-5-[(3-nitro-4-phenylmethoxy-phenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-benzyloxy-3-nitro-phenyl)methylene]-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 1-(4-ethylphenyl)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 1-(4-ethylphenyl)-5-[(3-nitro-4-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-benzoxy-3-nitro-benzylidene)-1-(4-ethylphenyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H21N3O5S MolecularWeight: 487.52704

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C(=O)NC2=S

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=CC=C4)[N+](=O)[O-])C(=O)NC2=S

InChI

InChI=1S/C26H21N3O5S/c1-2-17-8-11-20(12-9-17)28-25(31)21(24(30)27-26(28)35)14-19-10-13-23(22(15-19)29(32)33)34-16-18-6-4-3-5-7-18/h3-15H,2,16H2,1H3,(H,27,30,35)