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

Systemtic Name: 2-azanyl-5-[[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-amino-5-[[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylene]thiazol-4-one CAS Name: 2-amino-5-[[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-4-thiazolone IUPAC Name: 2-amino-5-[[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-amino-5-[3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-benzylidene]-2-thiazolin-4-one Formula: C18H14BrN3O5S MolecularWeight: 464.28986

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C2C(=O)N=C(S2)N)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14BrN3O5S/c1-26-14-7-11(8-15-17(23)21-18(20)28-15)6-13(19)16(14)27-9-10-3-2-4-12(5-10)22(24)25/h2-8H,9H2,1H3,(H2,20,21,23)