(5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylidene]-2-sulfanylidene-imidazolidin-4-one

Systemtic Name: (5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitro-phenyl]methylidene]-2-sulfanylidene-imidazolidin-4-one Openeye Name: (5E)-5-[(4-isopentyloxy-5-methoxy-2-nitro-phenyl)methylene]-2-thioxo-imidazolidin-4-one CAS Name: (5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylidene]-2-sulfanylidene-4-imidazolidinone IUPAC Name: (5E)-5-[[5-methoxy-4-(3-methylbutoxy)-2-nitrophenyl]methylidene]-2-sulfanylideneimidazolidin-4-one Traditional Name: (5E)-5-(4-isoamoxy-5-methoxy-2-nitro-benzylidene)-2-thioxo-4-imidazolidinone Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C=C2C(=O)NC(=S)N2)OC

Isomeric SMILES

CC(C)CCOC1=C(C=C(C(=C1)[N+](=O)[O-])/C=C/2\C(=O)NC(=S)N2)OC

InChI

InChI=1S/C16H19N3O5S/c1-9(2)4-5-24-14-8-12(19(21)22)10(7-13(14)23-3)6-11-15(20)18-16(25)17-11/h6-9H,4-5H2,1-3H3,(H2,17,18,20,25)/b11-6+