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

Systemtic Name: 5-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-1,3-bis(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-bis(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-1,3-bis(p-tolyl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C26H21N3O6S MolecularWeight: 503.52644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C(=O)N(C2=S)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H21N3O6S/c1-15-4-8-18(9-5-15)27-24(31)20(12-17-13-21(29(33)34)23(30)22(14-17)35-3)25(32)28(26(27)36)19-10-6-16(2)7-11-19/h4-14,30H,1-3H3