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

Systemtic Name: 2-azanyl-5-[[5-bromanyl-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Openeye Name: 2-amino-5-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylene]thiazol-4-one CAS Name: 2-amino-5-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-4-thiazolone IUPAC Name: 2-amino-5-[[5-bromo-2-[(3-nitrophenyl)methoxy]phenyl]methylidene]-1,3-thiazol-4-one Traditional Name: 2-amino-5-[5-bromo-2-(3-nitrobenzyl)oxy-benzylidene]-2-thiazolin-4-one Formula: C17H12BrN3O4S MolecularWeight: 434.26388

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)Br)C=C3C(=O)N=C(S3)N

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])COC2=C(C=C(C=C2)Br)C=C3C(=O)N=C(S3)N

InChI

InChI=1S/C17H12BrN3O4S/c18-12-4-5-14(11(7-12)8-15-16(22)20-17(19)26-15)25-9-10-2-1-3-13(6-10)21(23)24/h1-8H,9H2,(H2,19,20,22)