2-azanyl-5-[[3-bromanyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one

Systemtic Name: 2-azanyl-5-[[3-bromanyl-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-amino-5-[[3-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]thiazol-4-one CAS Name: 2-amino-5-[[3-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-4-thiazolone IUPAC Name: 2-amino-5-[[3-bromo-5-ethoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-amino-5-[3-bromo-5-ethoxy-4-(3-nitrobenzyl)oxy-benzylidene]-2-thiazolin-4-one Formula: C19H16BrN3O5S MolecularWeight: 478.31644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16BrN3O5S/c1-2-27-15-8-12(9-16-18(24)22-19(21)29-16)7-14(20)17(15)28-10-11-4-3-5-13(6-11)23(25)26/h3-9H,2,10H2,1H3,(H2,21,22,24)